N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine

C49H83N3 — CID 58798890

IUPACN',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine
SMILESCC1C=CC(N(CCN(C2C=C[C@@H](C)[C@@H](C)C2C)C2C=C[C@@H](C)[C@@H](C)C2C)CCN(C2C=CC(C)C(C)[C@@H]2C)[C@H]2C=CC(C)C(C)[C@@H]2C)[C@@H](C)C1C
InChIInChI=1S/C49H83N3/c1-30-16-21-45(40(11)35(30)6)50(26-28-51(46-22-17-31(2)36(7)41(46)12)47-23-18-32(3)37(8)42(47)13)27-29-52(48-24-19-33(4)38(9)43(48)14)49-25-20-34(5)39(10)44(49)15/h16-25,30-49H,26-29H2,1-15H3/t30?,31-,32-,33?,34?,35?,36-,37-,38?,39?,40+,41?,42?,43+,44+,45?,46?,47?,48+,49?/m1/s1
InChIKeyCHHDXXNDDQOZBI-DZPIWFFNSA-N
MW714.22 g/mol
LogP11.13
Rot. Bonds11

About N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine

N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine (PubChem CID 58798890) has the molecular formula C49H83N3 and a molecular weight of 714.22 g/mol. Its IUPAC name is N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine
PubChem CID58798890
Molecular FormulaC49H83N3
Molecular Weight714.22 g/mol
Exact Mass713.66
IUPAC NameN',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine
SMILESCC1C=CC(N(CCN(C2C=C[C@@H](C)[C@@H](C)C2C)C2C=C[C@@H](C)[C@@H](C)C2C)CCN(C2C=CC(C)C(C)[C@@H]2C)[C@H]2C=CC(C)C(C)[C@@H]2C)[C@@H](C)C1C
InChIInChI=1S/C49H83N3/c1-30-16-21-45(40(11)35(30)6)50(26-28-51(46-22-17-31(2)36(7)41(46)12)47-23-18-32(3)37(8)42(47)13)27-29-52(48-24-19-33(4)38(9)43(48)14)49-25-20-34(5)39(10)44(49)15/h16-25,30-49H,26-29H2,1-15H3/t30?,31-,32-,33?,34?,35?,36-,37-,38?,39?,40+,41?,42?,43+,44+,45?,46?,47?,48+,49?/m1/s1
InChIKeyCHHDXXNDDQOZBI-DZPIWFFNSA-N
XLogP11.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.22
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine with MolForge

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Related Compounds

(1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
CID 58798851
N,N,N',N'-tetrakis[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]nonane-1,9-diamine
CID 58798877
N,N,N',N'-tetrakis[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]decane-1,10-diamine
CID 58798878
N,N,N',N'-tetrakis[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]butane-1,4-diamine
CID 58798881
N,N,N',N'-tetrakis[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]pentane-1,5-diamine
CID 58798898
N,N,N',N'-tetrakis[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]propane-1,3-diamine
CID 58798901
N,N,N',N'-tetrakis[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]ethane-1,2-diamine
CID 58798909
N,N,N',N'-tetrakis[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]heptane-1,7-diamine
CID 58798915
N,N,N',N'-tetrakis[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]octane-1,8-diamine
CID 58798916
6-N,12-N-di(cyclohexa-2,4-dien-1-yl)-6-N,12-N-bis(4-methylcyclohexa-1,5-dien-1-yl)-4a,4b,5,12a-tetrahydrochrysene-6,12-diamine
CID 70837000
4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine
CID 89264848
1-ethyl-3-[5-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-3,6-dihydro-2H-pyridine
CID 169821953

Frequently Asked Questions

What is the IUPAC name of N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine (CID 58798890) is N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine is CC1C=CC(N(CCN(C2C=C[C@@H](C)[C@@H](C)C2C)C2C=C[C@@H](C)[C@@H](C)C2C)CCN(C2C=CC(C)C(C)[C@@H]2C)[C@H]2C=CC(C)C(C)[C@@H]2C)[C@@H](C)C1C.
What is the InChIKey of N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is CHHDXXNDDQOZBI-DZPIWFFNSA-N. The full InChI is InChI=1S/C49H83N3/c1-30-16-21-45(40(11)35(30)6)50(26-28-51(46-22-17-31(2)36(7)41(46)12)47-23-18-32(3)37(8)42(47)13)27-29-52(48-24-19-33(4)38(9)43(48)14)49-25-20-34(5)39(10)44(49)15/h16-25,30-49H,26-29H2,1-15H3/t30?,31-,32-,33?,34?,35?,36-,37-,38?,39?,40+,41?,42?,43+,44+,45?,46?,47?,48+,49?/m1/s1.
What are the key properties of N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine?
N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 714.22 g/mol, XLogP of 11.13, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[(4R,5R)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-N-[2-[[(1S,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]-[(6S)-4,5,6-trimethylcyclohex-2-en-1-yl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 58798890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).