N-butyl-N-tert-butylformamide

C9H19NO — CID 44719400

IUPACN-butyl-N-tert-butylformamide
SMILESCCCCN(C=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7-10(8-11)9(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNHYDQPAIQFWOKA-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.04
Rot. Bonds4

About N-butyl-N-tert-butylformamide

N-butyl-N-tert-butylformamide (PubChem CID 44719400) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-butyl-N-tert-butylformamide.

Molecular Properties

Compound NameN-butyl-N-tert-butylformamide
PubChem CID44719400
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-butyl-N-tert-butylformamide
SMILESCCCCN(C=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7-10(8-11)9(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNHYDQPAIQFWOKA-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.04
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-Bis(2-methylpropyl)formamide
CID 75770
N,N-dipentylformamide
CID 346328
N,N-ditert-butylformamide
CID 10898954
N-formyl diisoamylamine
CID 19803158
N-tert-butyl-N-propylformamide
CID 54077144
N-(2-methylpropyl)-N-propan-2-ylformamide
CID 54448264
Formamide, N-butyl-N-(1-methylethyl)-
CID 547377
N,N-di(butan-2-yl)formamide
CID 11040954
N-tert-butyl-N-cyclopentylformamide
CID 12507330
N-butyl-N-pentylformamide
CID 13244896
N-butyl-N-propylformamide
CID 13764654

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-tert-butylformamide?
The IUPAC name of N-butyl-N-tert-butylformamide (CID 44719400) is N-butyl-N-tert-butylformamide.
What is the SMILES notation for N-butyl-N-tert-butylformamide?
The canonical SMILES for N-butyl-N-tert-butylformamide is CCCCN(C=O)C(C)(C)C.
What is the InChIKey of N-butyl-N-tert-butylformamide?
The InChIKey is NHYDQPAIQFWOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-7-10(8-11)9(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of N-butyl-N-tert-butylformamide?
N-butyl-N-tert-butylformamide has a molecular weight of 157.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-tert-butylformamide is sourced from PubChem (CID 44719400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).