N-propan-2-yl-N-propylformamide

C7H15NO — CID 19070657

IUPACN-propan-2-yl-N-propylformamide
SMILESCCCN(C=O)C(C)C
InChIInChI=1S/C7H15NO/c1-4-5-8(6-9)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyGZIQVZTXWMBKFW-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.26
Rot. Bonds4

About N-propan-2-yl-N-propylformamide

N-propan-2-yl-N-propylformamide (PubChem CID 19070657) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-propan-2-yl-N-propylformamide.

Molecular Properties

Compound NameN-propan-2-yl-N-propylformamide
PubChem CID19070657
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-propan-2-yl-N-propylformamide
SMILESCCCN(C=O)C(C)C
InChIInChI=1S/C7H15NO/c1-4-5-8(6-9)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyGZIQVZTXWMBKFW-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-N-propylformamide 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

Diethylformamide
CID 12051
N,N-Dipropylformamide
CID 22687
N,N-bis(1-methylethyl)formamide
CID 75912
Methylbutylformamide
CID 14230
N-methyl-N-(propan-2-yl)formamide
CID 14529853
N-ethyl-N-propan-2-ylformamide
CID 19828862
N-(2-methylpropyl)-N-propan-2-ylformamide
CID 54448264
N-Methyl-N-propylformamide
CID 19070644
N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide
CID 145203970
N-(2-fluoroethyl)-N-propylformamide
CID 174927054
Formamide, N-butyl-N-(1-methylethyl)-
CID 547377
N-cyclopropyl-N-propan-2-ylformamide
CID 10630497

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-propylformamide?
The IUPAC name of N-propan-2-yl-N-propylformamide (CID 19070657) is N-propan-2-yl-N-propylformamide.
What is the SMILES notation for N-propan-2-yl-N-propylformamide?
The canonical SMILES for N-propan-2-yl-N-propylformamide is CCCN(C=O)C(C)C.
What is the InChIKey of N-propan-2-yl-N-propylformamide?
The InChIKey is GZIQVZTXWMBKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-8(6-9)7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-propan-2-yl-N-propylformamide?
N-propan-2-yl-N-propylformamide has a molecular weight of 129.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-propylformamide is sourced from PubChem (CID 19070657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).