4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine

C15H30N2 — CID 19766619

IUPAC4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(CC2CCC(C)(N)CC2)CC1
InChIInChI=1S/C15H30N2/c1-14(16)7-3-12(4-8-14)11-13-5-9-15(2,17)10-6-13/h12-13H,3-11,16-17H2,1-2H3
InChIKeyCOQCKAVRLCNRQV-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.19
Rot. Bonds2

About 4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine

4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine (PubChem CID 19766619) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine
PubChem CID19766619
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(CC2CCC(C)(N)CC2)CC1
InChIInChI=1S/C15H30N2/c1-14(16)7-3-12(4-8-14)11-13-5-9-15(2,17)10-6-13/h12-13H,3-11,16-17H2,1-2H3
InChIKeyCOQCKAVRLCNRQV-UHFFFAOYSA-N
XLogP3.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine?
The IUPAC name of 4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine (CID 19766619) is 4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine is CC1(N)CCC(CC2CCC(C)(N)CC2)CC1.
What is the InChIKey of 4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine?
The InChIKey is COQCKAVRLCNRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(16)7-3-12(4-8-14)11-13-5-9-15(2,17)10-6-13/h12-13H,3-11,16-17H2,1-2H3.
What are the key properties of 4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine?
4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-4-methylcyclohexyl)methyl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 19766619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).