N,N-dibutylformamide

C9H19NO — CID 12975

IUPACN,N-dibutylformamide
SMILESCCCCN(C=O)CCCC
InChIInChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyNZMAJUHVSZBJHL-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.05
Rot. Bonds7

About N,N-dibutylformamide

N,N-dibutylformamide (PubChem CID 12975) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,N-dibutylformamide.

Molecular Properties

Compound NameN,N-dibutylformamide
PubChem CID12975
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,N-dibutylformamide
SMILESCCCCN(C=O)CCCC
InChIInChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyNZMAJUHVSZBJHL-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.05
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-Dipropylformamide
CID 22687
Methylbutylformamide
CID 14230
N,N-Bis(2-methylpropyl)formamide
CID 75770
N,N-Bis(3-(dimethylamino)propyl)formamide
CID 3018940
Formamide, N,N-dihexyl-
CID 10420764
Methylhexylformamide
CID 272128
N,N-dipentylformamide
CID 346328
Carbamic acid, dibutyl-, methyl ester
CID 3590545
N-propyl-N-octylformamide
CID 12622738
N-butyl-N-octylformamide
CID 12749101
N-ethyl-N-heptylformamide
CID 14151223
N,N-dibutylcarbamoyl bromide
CID 18947661

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylformamide?
The IUPAC name of N,N-dibutylformamide (CID 12975) is N,N-dibutylformamide.
What is the SMILES notation for N,N-dibutylformamide?
The canonical SMILES for N,N-dibutylformamide is CCCCN(C=O)CCCC.
What is the InChIKey of N,N-dibutylformamide?
The InChIKey is NZMAJUHVSZBJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of N,N-dibutylformamide?
N,N-dibutylformamide has a molecular weight of 157.26 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylformamide is sourced from PubChem (CID 12975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).