4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine

C16H34N2 — CID 130238644

IUPAC4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine
SMILESCC(CCC(N)C(C)C)CC1CCC(N)C(C)C1
InChIInChI=1S/C16H34N2/c1-11(2)15(17)7-5-12(3)9-14-6-8-16(18)13(4)10-14/h11-16H,5-10,17-18H2,1-4H3
InChIKeyGYAXPSUCLLJWBK-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.54
Rot. Bonds6

About 4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine

4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine (PubChem CID 130238644) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine
PubChem CID130238644
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine
SMILESCC(CCC(N)C(C)C)CC1CCC(N)C(C)C1
InChIInChI=1S/C16H34N2/c1-11(2)15(17)7-5-12(3)9-14-6-8-16(18)13(4)10-14/h11-16H,5-10,17-18H2,1-4H3
InChIKeyGYAXPSUCLLJWBK-UHFFFAOYSA-N
XLogP3.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
CID 146360825
4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine
CID 176986857
4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane
CID 22137195
4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine
CID 57090235
4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 54467205
1-(2,5-dimethylhexyl)-4-methylcyclohexane
CID 90937103
4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
CID 6480559
4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine
CID 141480966
4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
CID 143714576
2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 90208733
1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane
CID 145356499
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine?
The IUPAC name of 4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine (CID 130238644) is 4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine is CC(CCC(N)C(C)C)CC1CCC(N)C(C)C1.
What is the InChIKey of 4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine?
The InChIKey is GYAXPSUCLLJWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-11(2)15(17)7-5-12(3)9-14-6-8-16(18)13(4)10-14/h11-16H,5-10,17-18H2,1-4H3.
What are the key properties of 4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine?
4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 130238644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).