2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine

C20H41N — CID 81033652

IUPAC2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
SMILESCCCCCCCCC1CC(C)CCC1CNC(C)(C)C
InChIInChI=1S/C20H41N/c1-6-7-8-9-10-11-12-18-15-17(2)13-14-19(18)16-21-20(3,4)5/h17-19,21H,6-16H2,1-5H3
InChIKeyIEMSBUOYVVPURM-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.18
Rot. Bonds9

About 2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine

2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine (PubChem CID 81033652) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
PubChem CID81033652
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
SMILESCCCCCCCCC1CC(C)CCC1CNC(C)(C)C
InChIInChI=1S/C20H41N/c1-6-7-8-9-10-11-12-18-15-17(2)13-14-19(18)16-21-20(3,4)5/h17-19,21H,6-16H2,1-5H3
InChIKeyIEMSBUOYVVPURM-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.18
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 2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine (CID 81033652) is 2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine is CCCCCCCCC1CC(C)CCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine?
The InChIKey is IEMSBUOYVVPURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-6-7-8-9-10-11-12-18-15-17(2)13-14-19(18)16-21-20(3,4)5/h17-19,21H,6-16H2,1-5H3.
What are the key properties of 2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine?
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine has a molecular weight of 295.56 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 81033652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).