N-tert-butyl-N-propylformamide

C8H17NO — CID 54077144

IUPACN-tert-butyl-N-propylformamide
SMILESCCCN(C=O)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6-9(7-10)8(2,3)4/h7H,5-6H2,1-4H3
InChIKeyRFSVEHMCTNXIPM-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.65
Rot. Bonds3

About N-tert-butyl-N-propylformamide

N-tert-butyl-N-propylformamide (PubChem CID 54077144) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-tert-butyl-N-propylformamide.

Molecular Properties

Compound NameN-tert-butyl-N-propylformamide
PubChem CID54077144
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-tert-butyl-N-propylformamide
SMILESCCCN(C=O)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6-9(7-10)8(2,3)4/h7H,5-6H2,1-4H3
InChIKeyRFSVEHMCTNXIPM-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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-Bis(2-methylpropyl)formamide
CID 75770
N,N-Bis(3-(dimethylamino)propyl)formamide
CID 3018940
N,N-ditert-butylformamide
CID 10898954
N-formyl diisoamylamine
CID 19803158
N-(2-methylpropyl)-N-propan-2-ylformamide
CID 54448264
N-tert-butyl-N-(2-fluoroethyl)formamide
CID 174765591
Formamide, N-butyl-N-(1-methylethyl)-
CID 547377
N,N-di(butan-2-yl)formamide
CID 11040954
N-butyl-N-propylformamide
CID 13764654
N-(3-methylbutyl)-N-(2-methylpropyl)formamide
CID 15936100
N-butan-2-yl-N-propylformamide
CID 18924573

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-propylformamide?
The IUPAC name of N-tert-butyl-N-propylformamide (CID 54077144) is N-tert-butyl-N-propylformamide.
What is the SMILES notation for N-tert-butyl-N-propylformamide?
The canonical SMILES for N-tert-butyl-N-propylformamide is CCCN(C=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-propylformamide?
The InChIKey is RFSVEHMCTNXIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6-9(7-10)8(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-N-propylformamide?
N-tert-butyl-N-propylformamide has a molecular weight of 143.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-propylformamide is sourced from PubChem (CID 54077144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).