N-(benzylideneamino)butan-1-amine

C11H16N2 — CID 173252252

IUPACN-(benzylideneamino)butan-1-amine
SMILESCCCCNN=Cc1ccccc1
InChIInChI=1S/C11H16N2/c1-2-3-9-12-13-10-11-7-5-4-6-8-11/h4-8,10,12H,2-3,9H2,1H3
InChIKeyBFRFKUQDMIEYAG-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.41
Rot. Bonds5

About N-(benzylideneamino)butan-1-amine

N-(benzylideneamino)butan-1-amine (PubChem CID 173252252) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(benzylideneamino)butan-1-amine.

Molecular Properties

Compound NameN-(benzylideneamino)butan-1-amine
PubChem CID173252252
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(benzylideneamino)butan-1-amine
SMILESCCCCNN=Cc1ccccc1
InChIInChI=1S/C11H16N2/c1-2-3-9-12-13-10-11-7-5-4-6-8-11/h4-8,10,12H,2-3,9H2,1H3
InChIKeyBFRFKUQDMIEYAG-UHFFFAOYSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-benzylideneamino]-N-butylhexanediamide
CID 171980947
4-[(hexylhydrazinylidene)methyl]-N,N-dimethylaniline
CID 154982727
2-[(pentylhydrazinylidene)methyl]phenol
CID 173213251
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-[(E)-benzylideneamino]butanamide
CID 6872028
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine
CID 177403210
(E)-N-octoxy-1-phenylmethanimine
CID 25012804

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)butan-1-amine?
The IUPAC name of N-(benzylideneamino)butan-1-amine (CID 173252252) is N-(benzylideneamino)butan-1-amine.
What is the SMILES notation for N-(benzylideneamino)butan-1-amine?
The canonical SMILES for N-(benzylideneamino)butan-1-amine is CCCCNN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)butan-1-amine?
The InChIKey is BFRFKUQDMIEYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-3-9-12-13-10-11-7-5-4-6-8-11/h4-8,10,12H,2-3,9H2,1H3.
What are the key properties of N-(benzylideneamino)butan-1-amine?
N-(benzylideneamino)butan-1-amine has a molecular weight of 176.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)butan-1-amine is sourced from PubChem (CID 173252252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).