N-butyl-N-pentylformamide

C10H21NO — CID 13244896

IUPACN-butyl-N-pentylformamide
SMILESCCCCCN(C=O)CCCC
InChIInChI=1S/C10H21NO/c1-3-5-7-9-11(10-12)8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyCVJNCEKKGNDWTO-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.44
Rot. Bonds8

About N-butyl-N-pentylformamide

N-butyl-N-pentylformamide (PubChem CID 13244896) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-butyl-N-pentylformamide.

Molecular Properties

Compound NameN-butyl-N-pentylformamide
PubChem CID13244896
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-butyl-N-pentylformamide
SMILESCCCCCN(C=O)CCCC
InChIInChI=1S/C10H21NO/c1-3-5-7-9-11(10-12)8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyCVJNCEKKGNDWTO-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-N-pentylformamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-Dibutylformamide
CID 12975
N,N-Bis(2-methylpropyl)formamide
CID 75770
Formamide, N-cyclopentyl-N-propyl-(9CI)
CID 10773209
N-Cyclohexyl-N-ethylformamide
CID 10773210
N-dodecyl-N-methylformamide
CID 12651456
N,N-Dipentylacetamide
CID 345912
N-cyclohexyl-N-propyl-formamide
CID 10583265
N-Cyclohexyl-N-isopropyl-formamide
CID 10654696
Methylpentylacetamide
CID 151189
Formamide, N,N-dioctyl-
CID 221420
N,N-Bis(3-(dimethylamino)propyl)formamide
CID 3018940
Formamide, N,N-dihexyl-
CID 10420764

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-pentylformamide?
The IUPAC name of N-butyl-N-pentylformamide (CID 13244896) is N-butyl-N-pentylformamide.
What is the SMILES notation for N-butyl-N-pentylformamide?
The canonical SMILES for N-butyl-N-pentylformamide is CCCCCN(C=O)CCCC.
What is the InChIKey of N-butyl-N-pentylformamide?
The InChIKey is CVJNCEKKGNDWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-7-9-11(10-12)8-6-4-2/h10H,3-9H2,1-2H3.
What are the key properties of N-butyl-N-pentylformamide?
N-butyl-N-pentylformamide has a molecular weight of 171.28 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-pentylformamide is sourced from PubChem (CID 13244896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).