(Z)-2-methyl-N-phenylmethoxypentan-3-imine

C13H19NO — CID 155206279

IUPAC(Z)-2-methyl-N-phenylmethoxypentan-3-imine
SMILESCC/C(=N/OCc1ccccc1)C(C)C
InChIInChI=1S/C13H19NO/c1-4-13(11(2)3)14-15-10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3/b14-13-
InChIKeyZHAXGPJDIISTTQ-YPKPFQOOSA-N
MW205.30 g/mol
LogP3.63
Rot. Bonds5

About (Z)-2-methyl-N-phenylmethoxypentan-3-imine

(Z)-2-methyl-N-phenylmethoxypentan-3-imine (PubChem CID 155206279) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (Z)-2-methyl-N-phenylmethoxypentan-3-imine.

Molecular Properties

Compound Name(Z)-2-methyl-N-phenylmethoxypentan-3-imine
PubChem CID155206279
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(Z)-2-methyl-N-phenylmethoxypentan-3-imine
SMILESCC/C(=N/OCc1ccccc1)C(C)C
InChIInChI=1S/C13H19NO/c1-4-13(11(2)3)14-15-10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3/b14-13-
InChIKeyZHAXGPJDIISTTQ-YPKPFQOOSA-N
XLogP3.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
(2E)-2-phenylmethoxyiminobutane-1,3-diol
CID 11138334
methyl N-[(E)-C-ethyl-N-phenylmethoxycarbonimidoyl]carbamate
CID 135478845
(E)-1-cyclopropyl-N-phenylmethoxyethanimine
CID 163358834
(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
CID 11172393
4-phenylmethoxyiminohexanenitrile
CID 140887374
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide
CID 11346261
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
CID 110005958
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-phenylmethoxypentan-3-imine?
The IUPAC name of (Z)-2-methyl-N-phenylmethoxypentan-3-imine (CID 155206279) is (Z)-2-methyl-N-phenylmethoxypentan-3-imine.
What is the SMILES notation for (Z)-2-methyl-N-phenylmethoxypentan-3-imine?
The canonical SMILES for (Z)-2-methyl-N-phenylmethoxypentan-3-imine is CC/C(=N/OCc1ccccc1)C(C)C.
What is the InChIKey of (Z)-2-methyl-N-phenylmethoxypentan-3-imine?
The InChIKey is ZHAXGPJDIISTTQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-13(11(2)3)14-15-10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3/b14-13-.
What are the key properties of (Z)-2-methyl-N-phenylmethoxypentan-3-imine?
(Z)-2-methyl-N-phenylmethoxypentan-3-imine has a molecular weight of 205.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-phenylmethoxypentan-3-imine is sourced from PubChem (CID 155206279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).