(E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine

C11H14N2 — CID 156725606

IUPAC(E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine
SMILESN/C=C1/C=CC=CC=C1/C=C/CN
InChIInChI=1S/C11H14N2/c12-8-4-7-10-5-2-1-3-6-11(10)9-13/h1-7,9H,8,12-13H2/b7-4+,11-9-
InChIKeyPZHCLZUYBSIIAT-DHIFYFQBSA-N
MW174.25 g/mol
LogP1.40
Rot. Bonds2

About (E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine

(E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine (PubChem CID 156725606) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine
PubChem CID156725606
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine
SMILESN/C=C1/C=CC=CC=C1/C=C/CN
InChIInChI=1S/C11H14N2/c12-8-4-7-10-5-2-1-3-6-11(10)9-13/h1-7,9H,8,12-13H2/b7-4+,11-9-
InChIKeyPZHCLZUYBSIIAT-DHIFYFQBSA-N
XLogP1.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 76997314
3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-amine
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(E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine
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3-(2,6-dichlorophenyl)prop-2-en-1-amine
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2-(3-aminoprop-1-enyl)aniline
CID 67152713

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine (CID 156725606) is (E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine is N/C=C1/C=CC=CC=C1/C=C/CN.
What is the InChIKey of (E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine?
The InChIKey is PZHCLZUYBSIIAT-DHIFYFQBSA-N. The full InChI is InChI=1S/C11H14N2/c12-8-4-7-10-5-2-1-3-6-11(10)9-13/h1-7,9H,8,12-13H2/b7-4+,11-9-.
What are the key properties of (E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine?
(E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine has a molecular weight of 174.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(7Z)-7-(aminomethylidene)cyclohepta-1,3,5-trien-1-yl]prop-2-en-1-amine is sourced from PubChem (CID 156725606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).