N-tert-butyl-N-cyclopentylformamide

C10H19NO — CID 12507330

IUPACN-tert-butyl-N-cyclopentylformamide
SMILESCC(C)(C)N(C=O)C1CCCC1
InChIInChI=1S/C10H19NO/c1-10(2,3)11(8-12)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3
InChIKeyLWPDKOCKJJXYIG-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.19
Rot. Bonds2

About N-tert-butyl-N-cyclopentylformamide

N-tert-butyl-N-cyclopentylformamide (PubChem CID 12507330) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-tert-butyl-N-cyclopentylformamide.

Molecular Properties

Compound NameN-tert-butyl-N-cyclopentylformamide
PubChem CID12507330
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-tert-butyl-N-cyclopentylformamide
SMILESCC(C)(C)N(C=O)C1CCCC1
InChIInChI=1S/C10H19NO/c1-10(2,3)11(8-12)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3
InChIKeyLWPDKOCKJJXYIG-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-tert-butyl-N-cyclopentylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-cyclopentylformamide?
The IUPAC name of N-tert-butyl-N-cyclopentylformamide (CID 12507330) is N-tert-butyl-N-cyclopentylformamide.
What is the SMILES notation for N-tert-butyl-N-cyclopentylformamide?
The canonical SMILES for N-tert-butyl-N-cyclopentylformamide is CC(C)(C)N(C=O)C1CCCC1.
What is the InChIKey of N-tert-butyl-N-cyclopentylformamide?
The InChIKey is LWPDKOCKJJXYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)11(8-12)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N-tert-butyl-N-cyclopentylformamide?
N-tert-butyl-N-cyclopentylformamide has a molecular weight of 169.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-cyclopentylformamide is sourced from PubChem (CID 12507330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).