N,N-di(hexan-3-yl)formamide

C13H27NO — CID 22149154

IUPACN,N-di(hexan-3-yl)formamide
SMILESCCCC(CC)N(C=O)C(CC)CCC
InChIInChI=1S/C13H27NO/c1-5-9-12(7-3)14(11-15)13(8-4)10-6-2/h11-13H,5-10H2,1-4H3
InChIKeyLLWOGURUBUENPW-UHFFFAOYSA-N
MW213.37 g/mol
LogP3.60
Rot. Bonds9

About N,N-di(hexan-3-yl)formamide

N,N-di(hexan-3-yl)formamide (PubChem CID 22149154) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is N,N-di(hexan-3-yl)formamide.

Molecular Properties

Compound NameN,N-di(hexan-3-yl)formamide
PubChem CID22149154
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC NameN,N-di(hexan-3-yl)formamide
SMILESCCCC(CC)N(C=O)C(CC)CCC
InChIInChI=1S/C13H27NO/c1-5-9-12(7-3)14(11-15)13(8-4)10-6-2/h11-13H,5-10H2,1-4H3
InChIKeyLLWOGURUBUENPW-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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(hexan-3-yl)formamide?
The IUPAC name of N,N-di(hexan-3-yl)formamide (CID 22149154) is N,N-di(hexan-3-yl)formamide.
What is the SMILES notation for N,N-di(hexan-3-yl)formamide?
The canonical SMILES for N,N-di(hexan-3-yl)formamide is CCCC(CC)N(C=O)C(CC)CCC.
What is the InChIKey of N,N-di(hexan-3-yl)formamide?
The InChIKey is LLWOGURUBUENPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-9-12(7-3)14(11-15)13(8-4)10-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of N,N-di(hexan-3-yl)formamide?
N,N-di(hexan-3-yl)formamide has a molecular weight of 213.37 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(hexan-3-yl)formamide is sourced from PubChem (CID 22149154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).