N-benzyl-N-hexylnitrous amide

C13H20N2O — CID 172967726

IUPACN-benzyl-N-hexylnitrous amide
SMILESCCCCCCN(Cc1ccccc1)N=O
InChIInChI=1S/C13H20N2O/c1-2-3-4-8-11-15(14-16)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyLNURUVBBFGXKHP-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.75
Rot. Bonds8

About N-benzyl-N-hexylnitrous amide

N-benzyl-N-hexylnitrous amide (PubChem CID 172967726) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-benzyl-N-hexylnitrous amide.

Molecular Properties

Compound NameN-benzyl-N-hexylnitrous amide
PubChem CID172967726
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-benzyl-N-hexylnitrous amide
SMILESCCCCCCN(Cc1ccccc1)N=O
InChIInChI=1S/C13H20N2O/c1-2-3-4-8-11-15(14-16)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyLNURUVBBFGXKHP-UHFFFAOYSA-N
XLogP3.75
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzyldodecan-1-amine
CID 11508874
N,N-dibenzylnonan-1-amine;hydrochloride
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CID 123983090
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N-benzyl-N-hexylmethanethioamide
CID 54136238
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
bis[5-[benzyl(hexyl)amino]pentan-2-yl] carbonate
CID 18944409
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
N-benzyl-N-pentadecan-2-ylpentadecan-2-amine
CID 90045050

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-hexylnitrous amide?
The IUPAC name of N-benzyl-N-hexylnitrous amide (CID 172967726) is N-benzyl-N-hexylnitrous amide.
What is the SMILES notation for N-benzyl-N-hexylnitrous amide?
The canonical SMILES for N-benzyl-N-hexylnitrous amide is CCCCCCN(Cc1ccccc1)N=O.
What is the InChIKey of N-benzyl-N-hexylnitrous amide?
The InChIKey is LNURUVBBFGXKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-4-8-11-15(14-16)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3.
What are the key properties of N-benzyl-N-hexylnitrous amide?
N-benzyl-N-hexylnitrous amide has a molecular weight of 220.32 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-hexylnitrous amide is sourced from PubChem (CID 172967726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).