[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine

C23H45N3 — CID 70368364

IUPAC[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine
SMILESCCCCC(CC)CN(CC(CC)CCCC)C1=CC(=C(N)N)CCC1
InChIInChI=1S/C23H45N3/c1-5-9-12-19(7-3)17-26(18-20(8-4)13-10-6-2)22-15-11-14-21(16-22)23(24)25/h16,19-20H,5-15,17-18,24-25H2,1-4H3
InChIKeyPGBKYMNPASIDGL-UHFFFAOYSA-N
MW363.63 g/mol
LogP5.92
Rot. Bonds13

About [3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine

[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine (PubChem CID 70368364) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is [3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine.

Molecular Properties

Compound Name[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine
PubChem CID70368364
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine
SMILESCCCCC(CC)CN(CC(CC)CCCC)C1=CC(=C(N)N)CCC1
InChIInChI=1S/C23H45N3/c1-5-9-12-19(7-3)17-26(18-20(8-4)13-10-6-2)22-15-11-14-21(16-22)23(24)25/h16,19-20H,5-15,17-18,24-25H2,1-4H3
InChIKeyPGBKYMNPASIDGL-UHFFFAOYSA-N
XLogP5.92
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-one
CID 68505520
2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-yl]propanedinitrile
CID 143873608
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
3-N,3-N-bis(2-ethylhexyl)benzene-1,2,3-triamine
CID 174302535
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
3-N-ethyl-3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 63532934
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
4-[ethyl(2-ethylhexyl)amino]benzaldehyde
CID 87492667
1-(aminomethyl)-N-ethyl-N-(2-ethylhexyl)cyclopentan-1-amine
CID 63480319
4-ethoxy-N,N-bis(2-ethylhexyl)aniline
CID 59373143
1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine
CID 23135069
tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)
CID 14251989

Frequently Asked Questions

What is the IUPAC name of [3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine?
The IUPAC name of [3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine (CID 70368364) is [3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine.
What is the SMILES notation for [3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine?
The canonical SMILES for [3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine is CCCCC(CC)CN(CC(CC)CCCC)C1=CC(=C(N)N)CCC1.
What is the InChIKey of [3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine?
The InChIKey is PGBKYMNPASIDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3/c1-5-9-12-19(7-3)17-26(18-20(8-4)13-10-6-2)22-15-11-14-21(16-22)23(24)25/h16,19-20H,5-15,17-18,24-25H2,1-4H3.
What are the key properties of [3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine?
[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine has a molecular weight of 363.63 g/mol, XLogP of 5.92, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]methanediamine is sourced from PubChem (CID 70368364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).