N,N-bis(3-methylbutyl)formamide

C11H23NO — CID 19803158

IUPACN,N-bis(3-methylbutyl)formamide
SMILESCC(C)CCN(C=O)CCC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)5-7-12(9-13)8-6-11(3)4/h9-11H,5-8H2,1-4H3
InChIKeyBIKUWSZMUHRUHN-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.54
Rot. Bonds7

About N,N-bis(3-methylbutyl)formamide

N,N-bis(3-methylbutyl)formamide (PubChem CID 19803158) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)formamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)formamide
PubChem CID19803158
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,N-bis(3-methylbutyl)formamide
SMILESCC(C)CCN(C=O)CCC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)5-7-12(9-13)8-6-11(3)4/h9-11H,5-8H2,1-4H3
InChIKeyBIKUWSZMUHRUHN-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.54
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-tert-butyl-N-propylformamide
CID 54077144
N-(2-methylpropyl)-N-propan-2-ylformamide
CID 54448264
N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide
CID 123768064
N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide
CID 156794422
N,N-bis(3-methylbutyl)acetamide
CID 347868
Acetamide, N-butyl-N-3-methylbutyl-
CID 91698904
Formamide, N-butyl-N-(1-methylethyl)-
CID 547377
N-methyl-N-(3-methylbutyl)acetamide
CID 20741844
N-(3-methylbutyl)-N-propylacetamide
CID 88872672

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)formamide?
The IUPAC name of N,N-bis(3-methylbutyl)formamide (CID 19803158) is N,N-bis(3-methylbutyl)formamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)formamide?
The canonical SMILES for N,N-bis(3-methylbutyl)formamide is CC(C)CCN(C=O)CCC(C)C.
What is the InChIKey of N,N-bis(3-methylbutyl)formamide?
The InChIKey is BIKUWSZMUHRUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)5-7-12(9-13)8-6-11(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of N,N-bis(3-methylbutyl)formamide?
N,N-bis(3-methylbutyl)formamide has a molecular weight of 185.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)formamide is sourced from PubChem (CID 19803158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).