N-(3-methylbutyl)-2-phenylethanimine

C13H19N — CID 576349

IUPACN-(3-methylbutyl)-2-phenylethanimine
SMILESCC(C)CC/N=C/Cc1ccccc1
InChIInChI=1S/C13H19N/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/b14-11+
InChIKeyUDSNAMUMSIUNOU-SDNWHVSQSA-N
MW189.30 g/mol
LogP3.35
Rot. Bonds5

About N-(3-methylbutyl)-2-phenylethanimine

N-(3-methylbutyl)-2-phenylethanimine (PubChem CID 576349) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-phenylethanimine.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-phenylethanimine
PubChem CID576349
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-(3-methylbutyl)-2-phenylethanimine
SMILESCC(C)CC/N=C/Cc1ccccc1
InChIInChI=1S/C13H19N/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/b14-11+
InChIKeyUDSNAMUMSIUNOU-SDNWHVSQSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.35
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-Benzylidenecyclohexylamine
CID 75167
Phenylacetaldoxime
CID 99748
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
(Z)-Phenylacetaldehyde oxime
CID 5939523
N-benzylidene-2-phenylethanamine
CID 576350
N-methyl-alpha-phenylnitrone
CID 819870
N,N'-Dicinnamylidene-1,6-hexanediamine
CID 67325
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
(E)-Phenylacetaldehyde oxime
CID 9638853
N-Benzylidenepropylamine
CID 250250

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-phenylethanimine?
The IUPAC name of N-(3-methylbutyl)-2-phenylethanimine (CID 576349) is N-(3-methylbutyl)-2-phenylethanimine.
What is the SMILES notation for N-(3-methylbutyl)-2-phenylethanimine?
The canonical SMILES for N-(3-methylbutyl)-2-phenylethanimine is CC(C)CC/N=C/Cc1ccccc1.
What is the InChIKey of N-(3-methylbutyl)-2-phenylethanimine?
The InChIKey is UDSNAMUMSIUNOU-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19N/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/b14-11+.
What are the key properties of N-(3-methylbutyl)-2-phenylethanimine?
N-(3-methylbutyl)-2-phenylethanimine has a molecular weight of 189.30 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-phenylethanimine is sourced from PubChem (CID 576349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).