N,N-dihexylformamide

C13H27NO — CID 10420764

IUPACN,N-dihexylformamide
SMILESCCCCCCN(C=O)CCCCCC
InChIInChI=1S/C13H27NO/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyBUYHCCVTCJWPNU-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.61
Rot. Bonds11

About N,N-dihexylformamide

N,N-dihexylformamide (PubChem CID 10420764) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,N-dihexylformamide.

Molecular Properties

Compound NameN,N-dihexylformamide
PubChem CID10420764
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,N-dihexylformamide
SMILESCCCCCCN(C=O)CCCCCC
InChIInChI=1S/C13H27NO/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyBUYHCCVTCJWPNU-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dihexylformamide?
The IUPAC name of N,N-dihexylformamide (CID 10420764) is N,N-dihexylformamide.
What is the SMILES notation for N,N-dihexylformamide?
The canonical SMILES for N,N-dihexylformamide is CCCCCCN(C=O)CCCCCC.
What is the InChIKey of N,N-dihexylformamide?
The InChIKey is BUYHCCVTCJWPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h13H,3-12H2,1-2H3.
What are the key properties of N,N-dihexylformamide?
N,N-dihexylformamide has a molecular weight of 213.36 g/mol, XLogP of 3.61, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexylformamide is sourced from PubChem (CID 10420764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).