2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide

C16H31N3O — CID 43319655

IUPAC2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide
SMILESNCCCN(CC(=O)NC1CCCC1)C1CCCCC1
InChIInChI=1S/C16H31N3O/c17-11-6-12-19(15-9-2-1-3-10-15)13-16(20)18-14-7-4-5-8-14/h14-15H,1-13,17H2,(H,18,20)
InChIKeyZARRPJSPAQXAKE-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.03
Rot. Bonds7

About 2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide

2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide (PubChem CID 43319655) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide
PubChem CID43319655
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide
SMILESNCCCN(CC(=O)NC1CCCC1)C1CCCCC1
InChIInChI=1S/C16H31N3O/c17-11-6-12-19(15-9-2-1-3-10-15)13-16(20)18-14-7-4-5-8-14/h14-15H,1-13,17H2,(H,18,20)
InChIKeyZARRPJSPAQXAKE-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide?
The IUPAC name of 2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide (CID 43319655) is 2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide is NCCCN(CC(=O)NC1CCCC1)C1CCCCC1.
What is the InChIKey of 2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide?
The InChIKey is ZARRPJSPAQXAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c17-11-6-12-19(15-9-2-1-3-10-15)13-16(20)18-14-7-4-5-8-14/h14-15H,1-13,17H2,(H,18,20).
What are the key properties of 2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide?
2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide has a molecular weight of 281.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide is sourced from PubChem (CID 43319655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).