(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine

C15H22N2 — CID 153400130

IUPAC(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine
SMILESC/C=C(\C=C/CC)C(N)C(N)c1ccccc1
InChIInChI=1S/C15H22N2/c1-3-5-9-12(4-2)14(16)15(17)13-10-7-6-8-11-13/h4-11,14-15H,3,16-17H2,1-2H3/b9-5-,12-4+
InChIKeyIMQJWFVKRXFDPT-WQPWRAGBSA-N
MW230.35 g/mol
LogP2.93
Rot. Bonds5

About (Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine

(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine (PubChem CID 153400130) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine.

Molecular Properties

Compound Name(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine
PubChem CID153400130
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine
SMILESC/C=C(\C=C/CC)C(N)C(N)c1ccccc1
InChIInChI=1S/C15H22N2/c1-3-5-9-12(4-2)14(16)15(17)13-10-7-6-8-11-13/h4-11,14-15H,3,16-17H2,1-2H3/b9-5-,12-4+
InChIKeyIMQJWFVKRXFDPT-WQPWRAGBSA-N
XLogP2.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1-diphenylhex-3-en-2-one
CID 67801120
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
[(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene
CID 143472728
1-amino-1-phenylocta-4,6-dien-2-ol
CID 123456345
[(E)-1-fluorohex-3-enyl]benzene
CID 132568386
N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide
CID 91093155
N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline
CID 143963360
(Z)-1-phenylpent-2-en-1-one
CID 91998885
benzyl (2R)-2,3-diamino-3-phenylpropanoate
CID 18653737
ethane;[(2E,4Z)-hepta-2,4-dien-3-yl]-phenylsulfanium
CID 145376903
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine?
The IUPAC name of (Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine (CID 153400130) is (Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine.
What is the SMILES notation for (Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine?
The canonical SMILES for (Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine is C/C=C(\C=C/CC)C(N)C(N)c1ccccc1.
What is the InChIKey of (Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine?
The InChIKey is IMQJWFVKRXFDPT-WQPWRAGBSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-5-9-12(4-2)14(16)15(17)13-10-7-6-8-11-13/h4-11,14-15H,3,16-17H2,1-2H3/b9-5-,12-4+.
What are the key properties of (Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine?
(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine is sourced from PubChem (CID 153400130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).