trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine

C19H38N2 — CID 124927273

IUPACtrans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CC(C(C)(C)C2C[C@H](C)C(N)[C@@H](C)C2)C[C@H](C)C1N
InChIInChI=1S/C19H38N2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h11-18H,7-10,20-21H2,1-6H3/t11-,12-,13-,14+,15?,16?,17?,18?/m0/s1
InChIKeyPEFNOPTWQPSGBF-CCLKIZOMSA-N
MW294.53 g/mol
LogP4.03
Rot. Bonds2

About trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine

trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 124927273) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine
PubChem CID124927273
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Nametrans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CC(C(C)(C)C2C[C@H](C)C(N)[C@@H](C)C2)C[C@H](C)C1N
InChIInChI=1S/C19H38N2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h11-18H,7-10,20-21H2,1-6H3/t11-,12-,13-,14+,15?,16?,17?,18?/m0/s1
InChIKeyPEFNOPTWQPSGBF-CCLKIZOMSA-N
XLogP4.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile
CID 141301418
4-iodo-2,6-dimethylcyclohexan-1-amine
CID 171580818
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
2,6-dimethyl-4-propylcyclohexan-1-amine
CID 138691500
1-methyl-3-[2-(3-methylcyclopentyl)propan-2-yl]cyclopentane
CID 58630980
cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane
CID 149008004
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
2-[2-(3,5-dimethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765355
4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine
CID 19805682
3,5-dimethylpiperidin-4-amine
CID 10171243
9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59916270
4-tert-butyl-1-fluoro-2-methylcyclopentane
CID 170179064

Frequently Asked Questions

What is the IUPAC name of trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine (CID 124927273) is trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine is C[C@@H]1CC(C(C)(C)C2C[C@H](C)C(N)[C@@H](C)C2)C[C@H](C)C1N.
What is the InChIKey of trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is PEFNOPTWQPSGBF-CCLKIZOMSA-N. The full InChI is InChI=1S/C19H38N2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h11-18H,7-10,20-21H2,1-6H3/t11-,12-,13-,14+,15?,16?,17?,18?/m0/s1.
What are the key properties of trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine?
trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 124927273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).