N-butan-2-yl-N-propylformamide

C8H17NO — CID 18924573

IUPACN-butan-2-yl-N-propylformamide
SMILESCCCN(C=O)C(C)CC
InChIInChI=1S/C8H17NO/c1-4-6-9(7-10)8(3)5-2/h7-8H,4-6H2,1-3H3
InChIKeyAEEQZALJJFMARR-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.65
Rot. Bonds5

About N-butan-2-yl-N-propylformamide

N-butan-2-yl-N-propylformamide (PubChem CID 18924573) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-butan-2-yl-N-propylformamide.

Molecular Properties

Compound NameN-butan-2-yl-N-propylformamide
PubChem CID18924573
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-butan-2-yl-N-propylformamide
SMILESCCCN(C=O)C(C)CC
InChIInChI=1S/C8H17NO/c1-4-6-9(7-10)8(3)5-2/h7-8H,4-6H2,1-3H3
InChIKeyAEEQZALJJFMARR-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dibutylformamide
CID 12975
N,N-Dipropylformamide
CID 22687
N,N-bis(1-methylethyl)formamide
CID 75912
N,N-Bis(2-methylpropyl)formamide
CID 75770
Di-sec-butylcarbamoyl chloride
CID 3015862
N-methyl-N-(propan-2-yl)formamide
CID 14529853
Formamide, N-cyclopentyl-N-propyl-(9CI)
CID 10773209
N,N-Bis(3-(dimethylamino)propyl)formamide
CID 3018940
N,N-di(propan-2-yl)-1-trimethylstannylformamide
CID 11266299
N,N-Dibutan-2-ylacetamide
CID 437099
N,N-dipentylformamide
CID 346328
N-isopropyl-N-n-propylformamide
CID 19070657

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-propylformamide?
The IUPAC name of N-butan-2-yl-N-propylformamide (CID 18924573) is N-butan-2-yl-N-propylformamide.
What is the SMILES notation for N-butan-2-yl-N-propylformamide?
The canonical SMILES for N-butan-2-yl-N-propylformamide is CCCN(C=O)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-propylformamide?
The InChIKey is AEEQZALJJFMARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-9(7-10)8(3)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of N-butan-2-yl-N-propylformamide?
N-butan-2-yl-N-propylformamide has a molecular weight of 143.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-propylformamide is sourced from PubChem (CID 18924573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).