N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine

C16H33N — CID 83159163

IUPACN-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CCCC(C)C)C1
InChIInChI=1S/C16H33N/c1-5-7-14-10-11-16(17-4)15(12-14)9-6-8-13(2)3/h13-17H,5-12H2,1-4H3
InChIKeyXWBZPMNJNMPNOH-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds7

About N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine

N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine (PubChem CID 83159163) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
PubChem CID83159163
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CCCC(C)C)C1
InChIInChI=1S/C16H33N/c1-5-7-14-10-11-16(17-4)15(12-14)9-6-8-13(2)3/h13-17H,5-12H2,1-4H3
InChIKeyXWBZPMNJNMPNOH-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine (CID 83159163) is N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(CCCC(C)C)C1.
What is the InChIKey of N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine?
The InChIKey is XWBZPMNJNMPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-7-14-10-11-16(17-4)15(12-14)9-6-8-13(2)3/h13-17H,5-12H2,1-4H3.
What are the key properties of N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine?
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 83159163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).