N-butan-2-yl-N-tert-butylformamide

C9H19NO — CID 18974784

IUPACN-butan-2-yl-N-tert-butylformamide
SMILESCCC(C)N(C=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-6-8(2)10(7-11)9(3,4)5/h7-8H,6H2,1-5H3
InChIKeyZMISEIVFFRLRNU-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.04
Rot. Bonds3

About N-butan-2-yl-N-tert-butylformamide

N-butan-2-yl-N-tert-butylformamide (PubChem CID 18974784) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-butan-2-yl-N-tert-butylformamide.

Molecular Properties

Compound NameN-butan-2-yl-N-tert-butylformamide
PubChem CID18974784
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-butan-2-yl-N-tert-butylformamide
SMILESCCC(C)N(C=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-6-8(2)10(7-11)9(3,4)5/h7-8H,6H2,1-5H3
InChIKeyZMISEIVFFRLRNU-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-tert-butylformamide?
The IUPAC name of N-butan-2-yl-N-tert-butylformamide (CID 18974784) is N-butan-2-yl-N-tert-butylformamide.
What is the SMILES notation for N-butan-2-yl-N-tert-butylformamide?
The canonical SMILES for N-butan-2-yl-N-tert-butylformamide is CCC(C)N(C=O)C(C)(C)C.
What is the InChIKey of N-butan-2-yl-N-tert-butylformamide?
The InChIKey is ZMISEIVFFRLRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-8(2)10(7-11)9(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of N-butan-2-yl-N-tert-butylformamide?
N-butan-2-yl-N-tert-butylformamide has a molecular weight of 157.26 g/mol, XLogP of 2.04, 3 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-tert-butylformamide is sourced from PubChem (CID 18974784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).