trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine

C18H38N2 — CID 59492154

IUPACtrans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN(CC(C)(C)C)[C@H]1CCCC[C@@H]1N(C)CC(C)(C)C
InChIInChI=1S/C18H38N2/c1-17(2,3)13-19(7)15-11-9-10-12-16(15)20(8)14-18(4,5)6/h15-16H,9-14H2,1-8H3/t15-,16-/m0/s1
InChIKeyKHGKGFZLRPXDSX-HOTGVXAUSA-N
MW282.52 g/mol
LogP4.25
Rot. Bonds4

About trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine

trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 59492154) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
PubChem CID59492154
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Nametrans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN(CC(C)(C)C)[C@H]1CCCC[C@@H]1N(C)CC(C)(C)C
InChIInChI=1S/C18H38N2/c1-17(2,3)13-19(7)15-11-9-10-12-16(15)20(8)14-18(4,5)6/h15-16H,9-14H2,1-8H3/t15-,16-/m0/s1
InChIKeyKHGKGFZLRPXDSX-HOTGVXAUSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine with MolForge

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Related Compounds

1-N-(2,2-dimethylpropyl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79859576
trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol
CID 104954571
N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62260508
2-[(2-amino-2-methylpropyl)-methylamino]cyclohexan-1-ol;hydrochloride
CID 130878660
2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
CID 80998310
N-(2,2-dimethylpropyl)-N,4-dimethylpyrrolidin-3-amine
CID 81459485
2-[[(1S,2S)-2-[(2-hydroxy-2,2-diphenylethyl)-methylamino]cyclohexyl]-methylamino]-1,1-diphenylethanol
CID 101490678
2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol
CID 114495525
1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 79811731
(3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol
CID 126988278
2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62260337
3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one
CID 66452296

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 59492154) is trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine is CN(CC(C)(C)C)[C@H]1CCCC[C@@H]1N(C)CC(C)(C)C.
What is the InChIKey of trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is KHGKGFZLRPXDSX-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H38N2/c1-17(2,3)13-19(7)15-11-9-10-12-16(15)20(8)14-18(4,5)6/h15-16H,9-14H2,1-8H3/t15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 59492154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).