3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine

C15H31N — CID 22891550

IUPAC3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
SMILESCC(C)CCNCC1CCC(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-12(2)9-10-16-11-14-5-7-15(8-6-14)13(3)4/h12-16H,5-11H2,1-4H3
InChIKeyCQRIHAYPCXNHCA-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.08
Rot. Bonds6

About 3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine

3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine (PubChem CID 22891550) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
PubChem CID22891550
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
SMILESCC(C)CCNCC1CCC(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-12(2)9-10-16-11-14-5-7-15(8-6-14)13(3)4/h12-16H,5-11H2,1-4H3
InChIKeyCQRIHAYPCXNHCA-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine (CID 22891550) is 3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine is CC(C)CCNCC1CCC(C(C)C)CC1.
What is the InChIKey of 3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine?
The InChIKey is CQRIHAYPCXNHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-12(2)9-10-16-11-14-5-7-15(8-6-14)13(3)4/h12-16H,5-11H2,1-4H3.
What are the key properties of 3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine?
3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine is sourced from PubChem (CID 22891550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).