4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine

C17H34N2 — CID 140541641

IUPAC4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CC(N)CCC1CC1CCC(N)CC1(C)C
InChIInChI=1S/C17H34N2/c1-16(2)10-14(18)7-5-12(16)9-13-6-8-15(19)11-17(13,3)4/h12-15H,5-11,18-19H2,1-4H3
InChIKeyGYSSPRZRQCJKLO-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.68
Rot. Bonds2

About 4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine

4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine (PubChem CID 140541641) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine
PubChem CID140541641
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CC(N)CCC1CC1CCC(N)CC1(C)C
InChIInChI=1S/C17H34N2/c1-16(2)10-14(18)7-5-12(16)9-13-6-8-15(19)11-17(13,3)4/h12-15H,5-11,18-19H2,1-4H3
InChIKeyGYSSPRZRQCJKLO-UHFFFAOYSA-N
XLogP3.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethylcyclohexane-1,4-diamine
CID 20547249
4-tert-butyl-3,3-dimethylcyclohexan-1-amine
CID 123956056
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
1-methylcyclopropane-1,2-diamine
CID 15182447
2-(chloromethyl)-1,1-dimethylcyclopropane
CID 12627051
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane
CID 159510225
4-ethyl-3,3-dimethylcyclohexan-1-ol
CID 58534383
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905
3,3-dimethylcyclobutan-1-amine
CID 14988402
trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
CID 99867045
4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684
4-[amino(methyl)amino]cyclohexan-1-amine
CID 131970686

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine (CID 140541641) is 4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine is CC1(C)CC(N)CCC1CC1CCC(N)CC1(C)C.
What is the InChIKey of 4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine?
The InChIKey is GYSSPRZRQCJKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-16(2)10-14(18)7-5-12(16)9-13-6-8-15(19)11-17(13,3)4/h12-15H,5-11,18-19H2,1-4H3.
What are the key properties of 4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine?
4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 140541641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).