2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine

C16H31N — CID 55219366

IUPAC2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CC1CCCC1
InChIInChI=1S/C16H31N/c1-12(2)14-8-9-16(17-3)15(11-14)10-13-6-4-5-7-13/h12-17H,4-11H2,1-3H3
InChIKeyYBZHTBWRUBEVDU-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds4

About 2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 55219366) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID55219366
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CC1CCCC1
InChIInChI=1S/C16H31N/c1-12(2)14-8-9-16(17-3)15(11-14)10-13-6-4-5-7-13/h12-17H,4-11H2,1-3H3
InChIKeyYBZHTBWRUBEVDU-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 55219366) is 2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is YBZHTBWRUBEVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)14-8-9-16(17-3)15(11-14)10-13-6-4-5-7-13/h12-17H,4-11H2,1-3H3.
What are the key properties of 2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55219366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).