N-Benzylidene-sec-butylamine

C11H15N — CID 583479

IUPACN-butan-2-yl-1-phenylmethanimine
SMILESCCC(C)N=CC1=CC=CC=C1
InChIInChI=1S/C11H15N/c1-3-10(2)12-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKeyZGCJDGGTESQIMQ-UHFFFAOYSA-N
MW161.24 g/mol
LogP2.80
Rot. Bonds3

About N-Benzylidene-sec-butylamine

N-Benzylidene-sec-butylamine (PubChem CID 583479) has the molecular formula C11H15N and a molecular weight of 161.24 g/mol. Its IUPAC name is N-butan-2-yl-1-phenylmethanimine.

Molecular Properties

Compound NameN-Benzylidene-sec-butylamine
PubChem CID583479
Molecular FormulaC11H15N
Molecular Weight161.24 g/mol
Exact Mass161.12
IUPAC NameN-butan-2-yl-1-phenylmethanimine
SMILESCCC(C)N=CC1=CC=CC=C1
InChIInChI=1S/C11H15N/c1-3-10(2)12-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKeyZGCJDGGTESQIMQ-UHFFFAOYSA-N
XLogP2.80
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity134

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-tert-Butyl-alpha-phenylnitrone
CID 638877
N-Benzylidenecyclohexylamine
CID 75167
Benzaldehyde azine
CID 5324610
Benzalazine
CID 92130
6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
1,2-Ethanediamine, N1,N2-bis(phenylmethylene)-
CID 66033
Ethanamine, N-(phenylmethylene)-
CID 111239
N-benzylidene-2-phenylethanamine
CID 576350
N-methyl-alpha-phenylnitrone
CID 819870
4-Methylbenzaldehyde oxime
CID 5372131

Frequently Asked Questions

What is the IUPAC name of N-Benzylidene-sec-butylamine?
The IUPAC name of N-Benzylidene-sec-butylamine (CID 583479) is N-butan-2-yl-1-phenylmethanimine.
What is the SMILES notation for N-Benzylidene-sec-butylamine?
The canonical SMILES for N-Benzylidene-sec-butylamine is CCC(C)N=CC1=CC=CC=C1.
What is the InChIKey of N-Benzylidene-sec-butylamine?
The InChIKey is ZGCJDGGTESQIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-10(2)12-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3.
What are the key properties of N-Benzylidene-sec-butylamine?
N-Benzylidene-sec-butylamine has a molecular weight of 161.24 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-Benzylidene-sec-butylamine is sourced from PubChem (CID 583479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).