N,N-bis(4-methylpentyl)formamide

C13H27NO — CID 23139123

IUPACN,N-bis(4-methylpentyl)formamide
SMILESCC(C)CCCN(C=O)CCCC(C)C
InChIInChI=1S/C13H27NO/c1-12(2)7-5-9-14(11-15)10-6-8-13(3)4/h11-13H,5-10H2,1-4H3
InChIKeyCBIIKSZRZOOZLK-UHFFFAOYSA-N
MW213.37 g/mol
LogP3.32
Rot. Bonds9

About N,N-bis(4-methylpentyl)formamide

N,N-bis(4-methylpentyl)formamide (PubChem CID 23139123) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is N,N-bis(4-methylpentyl)formamide.

Molecular Properties

Compound NameN,N-bis(4-methylpentyl)formamide
PubChem CID23139123
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC NameN,N-bis(4-methylpentyl)formamide
SMILESCC(C)CCCN(C=O)CCCC(C)C
InChIInChI=1S/C13H27NO/c1-12(2)7-5-9-14(11-15)10-6-8-13(3)4/h11-13H,5-10H2,1-4H3
InChIKeyCBIIKSZRZOOZLK-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.32
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-bis(4-methylpentyl)formamide?
The IUPAC name of N,N-bis(4-methylpentyl)formamide (CID 23139123) is N,N-bis(4-methylpentyl)formamide.
What is the SMILES notation for N,N-bis(4-methylpentyl)formamide?
The canonical SMILES for N,N-bis(4-methylpentyl)formamide is CC(C)CCCN(C=O)CCCC(C)C.
What is the InChIKey of N,N-bis(4-methylpentyl)formamide?
The InChIKey is CBIIKSZRZOOZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)7-5-9-14(11-15)10-6-8-13(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of N,N-bis(4-methylpentyl)formamide?
N,N-bis(4-methylpentyl)formamide has a molecular weight of 213.37 g/mol, XLogP of 3.32, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylpentyl)formamide is sourced from PubChem (CID 23139123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).