2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide

C16H30N2O — CID 106592908

IUPAC2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC1CCCC1)C1CCCC(N)C1
InChIInChI=1S/C16H30N2O/c1-12(14-8-5-9-15(17)10-14)16(19)18(2)11-13-6-3-4-7-13/h12-15H,3-11,17H2,1-2H3
InChIKeyIOSGFQUXFNKNAY-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds4

About 2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide

2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide (PubChem CID 106592908) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide
PubChem CID106592908
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC1CCCC1)C1CCCC(N)C1
InChIInChI=1S/C16H30N2O/c1-12(14-8-5-9-15(17)10-14)16(19)18(2)11-13-6-3-4-7-13/h12-15H,3-11,17H2,1-2H3
InChIKeyIOSGFQUXFNKNAY-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide (CID 106592908) is 2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide is CC(C(=O)N(C)CC1CCCC1)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide?
The InChIKey is IOSGFQUXFNKNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(14-8-5-9-15(17)10-14)16(19)18(2)11-13-6-3-4-7-13/h12-15H,3-11,17H2,1-2H3.
What are the key properties of 2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide?
2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide has a molecular weight of 266.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide is sourced from PubChem (CID 106592908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).