3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine

C15H32N2 — CID 20707077

IUPAC3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine
SMILESCN(C1CCC(C)(C)CC1)C(C)(C)C(C)(C)N
InChIInChI=1S/C15H32N2/c1-13(2)10-8-12(9-11-13)17(7)15(5,6)14(3,4)16/h12H,8-11,16H2,1-7H3
InChIKeyBWJKUNITLLJGEQ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds3

About 3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine

3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine (PubChem CID 20707077) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine
PubChem CID20707077
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine
SMILESCN(C1CCC(C)(C)CC1)C(C)(C)C(C)(C)N
InChIInChI=1S/C15H32N2/c1-13(2)10-8-12(9-11-13)17(7)15(5,6)14(3,4)16/h12H,8-11,16H2,1-7H3
InChIKeyBWJKUNITLLJGEQ-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine
CID 113481753
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538
3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid
CID 110838605
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
CID 114290836
(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
CID 119328237
N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 130667135
(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
CID 103935271
N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660402
2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-3,3,3-trifluoropropanethioamide
CID 103368788
trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol
CID 102734871
1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine
CID 127003857
2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine
CID 80653292

Frequently Asked Questions

What is the IUPAC name of 3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine?
The IUPAC name of 3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine (CID 20707077) is 3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine.
What is the SMILES notation for 3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine?
The canonical SMILES for 3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine is CN(C1CCC(C)(C)CC1)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine?
The InChIKey is BWJKUNITLLJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(2)10-8-12(9-11-13)17(7)15(5,6)14(3,4)16/h12H,8-11,16H2,1-7H3.
What are the key properties of 3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine?
3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine is sourced from PubChem (CID 20707077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).