N,N-di(butan-2-yl)formamide

C9H19NO — CID 11040954

IUPACN,N-di(butan-2-yl)formamide
SMILESCCC(C)N(C=O)C(C)CC
InChIInChI=1S/C9H19NO/c1-5-8(3)10(7-11)9(4)6-2/h7-9H,5-6H2,1-4H3
InChIKeyRKCKNKVPRWYRHU-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.04
Rot. Bonds5

About N,N-di(butan-2-yl)formamide

N,N-di(butan-2-yl)formamide (PubChem CID 11040954) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,N-di(butan-2-yl)formamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)formamide
PubChem CID11040954
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,N-di(butan-2-yl)formamide
SMILESCCC(C)N(C=O)C(C)CC
InChIInChI=1S/C9H19NO/c1-5-8(3)10(7-11)9(4)6-2/h7-9H,5-6H2,1-4H3
InChIKeyRKCKNKVPRWYRHU-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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,N-di(butan-2-yl)formamide?
The IUPAC name of N,N-di(butan-2-yl)formamide (CID 11040954) is N,N-di(butan-2-yl)formamide.
What is the SMILES notation for N,N-di(butan-2-yl)formamide?
The canonical SMILES for N,N-di(butan-2-yl)formamide is CCC(C)N(C=O)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)formamide?
The InChIKey is RKCKNKVPRWYRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8(3)10(7-11)9(4)6-2/h7-9H,5-6H2,1-4H3.
What are the key properties of N,N-di(butan-2-yl)formamide?
N,N-di(butan-2-yl)formamide has a molecular weight of 157.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)formamide is sourced from PubChem (CID 11040954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).