N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine

C27H32N2 — CID 131967897

IUPACN-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine
SMILESC=C(/C=N/C=C(\C)c1ccccc1)NC(=C)C1(c2cccc(CCCC)c2)CC1
InChIInChI=1S/C27H32N2/c1-5-6-11-24-12-10-15-26(18-24)27(16-17-27)23(4)29-22(3)20-28-19-21(2)25-13-8-7-9-14-25/h7-10,12-15,18-20,29H,3-6,11,16-17H2,1-2H3/b21-19+,28-20+
InChIKeyNSGYBPLOSJJPGZ-QGFLBYHTSA-N
MW384.57 g/mol
LogP6.81
Rot. Bonds10

About N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine

N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine (PubChem CID 131967897) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine.

Molecular Properties

Compound NameN-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine
PubChem CID131967897
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC NameN-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine
SMILESC=C(/C=N/C=C(\C)c1ccccc1)NC(=C)C1(c2cccc(CCCC)c2)CC1
InChIInChI=1S/C27H32N2/c1-5-6-11-24-12-10-15-26(18-24)27(16-17-27)23(4)29-22(3)20-28-19-21(2)25-13-8-7-9-14-25/h7-10,12-15,18-20,29H,3-6,11,16-17H2,1-2H3/b21-19+,28-20+
InChIKeyNSGYBPLOSJJPGZ-QGFLBYHTSA-N
XLogP6.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-phenylcyclopropyl)-(3-propylphenyl)methanone
CID 116543203
(3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine
CID 144542813
1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
butylbenzene;propylbenzene
CID 142022125
1-buta-1,3-dien-2-yl-3-propylbenzene
CID 140596687
1-(3-butylphenyl)-3-(3,5-dibutylphenyl)propane-1,3-dione
CID 130220574
4-ethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542251
4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
CID 116546270
[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine
CID 118460968
3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542580

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine?
The IUPAC name of N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine (CID 131967897) is N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine.
What is the SMILES notation for N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine?
The canonical SMILES for N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine is C=C(/C=N/C=C(\C)c1ccccc1)NC(=C)C1(c2cccc(CCCC)c2)CC1.
What is the InChIKey of N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine?
The InChIKey is NSGYBPLOSJJPGZ-QGFLBYHTSA-N. The full InChI is InChI=1S/C27H32N2/c1-5-6-11-24-12-10-15-26(18-24)27(16-17-27)23(4)29-22(3)20-28-19-21(2)25-13-8-7-9-14-25/h7-10,12-15,18-20,29H,3-6,11,16-17H2,1-2H3/b21-19+,28-20+.
What are the key properties of N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine?
N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine has a molecular weight of 384.57 g/mol, XLogP of 6.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine is sourced from PubChem (CID 131967897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).