1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide

C14H28N2O2 — CID 54873216

IUPAC1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1(N)CCCC1
InChIInChI=1S/C14H28N2O2/c1-2-3-4-7-10-16(11-12-17)13(18)14(15)8-5-6-9-14/h17H,2-12,15H2,1H3
InChIKeyORTYOWOBPDXIMQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.66
Rot. Bonds8

About 1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide

1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide (PubChem CID 54873216) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
PubChem CID54873216
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1(N)CCCC1
InChIInChI=1S/C14H28N2O2/c1-2-3-4-7-10-16(11-12-17)13(18)14(15)8-5-6-9-14/h17H,2-12,15H2,1H3
InChIKeyORTYOWOBPDXIMQ-UHFFFAOYSA-N
XLogP1.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide (CID 54873216) is 1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide is CCCCCCN(CCO)C(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The InChIKey is ORTYOWOBPDXIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-3-4-7-10-16(11-12-17)13(18)14(15)8-5-6-9-14/h17H,2-12,15H2,1H3.
What are the key properties of 1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 54873216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).