4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine

C15H30N2 — CID 4107113

IUPAC4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CC(N)CCC1CC1CCC(N)CC1C
InChIInChI=1S/C15H30N2/c1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2/h10-15H,3-9,16-17H2,1-2H3
InChIKeyNTGJOYPFNABNES-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.90
Rot. Bonds2

About 4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine

4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 4107113) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID4107113
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CC(N)CCC1CC1CCC(N)CC1C
InChIInChI=1S/C15H30N2/c1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2/h10-15H,3-9,16-17H2,1-2H3
InChIKeyNTGJOYPFNABNES-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine (CID 4107113) is 4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine is CC1CC(N)CCC1CC1CCC(N)CC1C.
What is the InChIKey of 4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is NTGJOYPFNABNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2/h10-15H,3-9,16-17H2,1-2H3.
What are the key properties of 4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine?
4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.90, 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-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 4107113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).