(E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine

C17H25NO — CID 177476839

IUPAC(E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine
SMILESCC1CCC(CCC/C=N/OCc2ccccc2)C1
InChIInChI=1S/C17H25NO/c1-15-10-11-16(13-15)7-5-6-12-18-19-14-17-8-3-2-4-9-17/h2-4,8-9,12,15-16H,5-7,10-11,13-14H2,1H3/b18-12+
InChIKeyOCSHKALQXBOPMB-LDADJPATSA-N
MW259.39 g/mol
LogP4.80
Rot. Bonds7

About (E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine

(E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine (PubChem CID 177476839) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine.

Molecular Properties

Compound Name(E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine
PubChem CID177476839
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine
SMILESCC1CCC(CCC/C=N/OCc2ccccc2)C1
InChIInChI=1S/C17H25NO/c1-15-10-11-16(13-15)7-5-6-12-18-19-14-17-8-3-2-4-9-17/h2-4,8-9,12,15-16H,5-7,10-11,13-14H2,1H3/b18-12+
InChIKeyOCSHKALQXBOPMB-LDADJPATSA-N
XLogP4.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
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

(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
(6E)-6-phenylmethoxyiminohexanal
CID 14120171
(E)-4-[(2R)-3-methylbutan-2-yl]oxy-N-phenylmethoxybutan-1-imine
CID 59445415
cis-(3S,5R)-3,5-dimethyl-1-(phenylmethoxyiminomethyl)cyclohexane-1-carboxylic acid
CID 86606484
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine
CID 102508862
2-phenylmethoxyiminoacetaldehyde
CID 56611193
4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol
CID 85267968
4,4-dimethyl-1-(phenylmethoxyiminomethyl)cyclohexane-1-carboxylic acid
CID 86606475
4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one
CID 85275903
2-methyl-N-phenylmethoxy-1,3-dithian-5-imine
CID 2805584

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine?
The IUPAC name of (E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine (CID 177476839) is (E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine.
What is the SMILES notation for (E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine?
The canonical SMILES for (E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine is CC1CCC(CCC/C=N/OCc2ccccc2)C1.
What is the InChIKey of (E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine?
The InChIKey is OCSHKALQXBOPMB-LDADJPATSA-N. The full InChI is InChI=1S/C17H25NO/c1-15-10-11-16(13-15)7-5-6-12-18-19-14-17-8-3-2-4-9-17/h2-4,8-9,12,15-16H,5-7,10-11,13-14H2,1H3/b18-12+.
What are the key properties of (E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine?
(E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine has a molecular weight of 259.39 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine is sourced from PubChem (CID 177476839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).