2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine

C15H24N2 — CID 134254457

IUPAC2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine
SMILESC/C=C(CC1=CC=CCC1N)\C(N)=C/CCC
InChIInChI=1S/C15H24N2/c1-3-5-9-14(16)12(4-2)11-13-8-6-7-10-15(13)17/h4,6-9,15H,3,5,10-11,16-17H2,1-2H3/b12-4-,14-9+
InChIKeySAABEMVCKUGQLB-QNYGPXEOSA-N
MW232.37 g/mol
LogP3.18
Rot. Bonds5

About 2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine

2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine (PubChem CID 134254457) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine
PubChem CID134254457
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine
SMILESC/C=C(CC1=CC=CCC1N)\C(N)=C/CCC
InChIInChI=1S/C15H24N2/c1-3-5-9-14(16)12(4-2)11-13-8-6-7-10-15(13)17/h4,6-9,15H,3,5,10-11,16-17H2,1-2H3/b12-4-,14-9+
InChIKeySAABEMVCKUGQLB-QNYGPXEOSA-N
XLogP3.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine (CID 134254457) is 2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine is C/C=C(CC1=CC=CCC1N)\C(N)=C/CCC.
What is the InChIKey of 2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is SAABEMVCKUGQLB-QNYGPXEOSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-5-9-14(16)12(4-2)11-13-8-6-7-10-15(13)17/h4,6-9,15H,3,5,10-11,16-17H2,1-2H3/b12-4-,14-9+.
What are the key properties of 2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine?
2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,2Z)-3-amino-2-ethylidenehept-3-enyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 134254457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).