(1E)-1-phenylhepta-1,6-dien-3-amine

C13H17N — CID 11542895

IUPAC(1E)-1-phenylhepta-1,6-dien-3-amine
SMILESC=CCCC(N)/C=C/c1ccccc1
InChIInChI=1S/C13H17N/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h2,4-8,10-11,13H,1,3,9,14H2/b11-10+
InChIKeySAZIERPNXGIPMH-ZHACJKMWSA-N
MW187.29 g/mol
LogP2.99
Rot. Bonds5

About (1E)-1-phenylhepta-1,6-dien-3-amine

(1E)-1-phenylhepta-1,6-dien-3-amine (PubChem CID 11542895) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (1E)-1-phenylhepta-1,6-dien-3-amine.

Molecular Properties

Compound Name(1E)-1-phenylhepta-1,6-dien-3-amine
PubChem CID11542895
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(1E)-1-phenylhepta-1,6-dien-3-amine
SMILESC=CCCC(N)/C=C/c1ccccc1
InChIInChI=1S/C13H17N/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h2,4-8,10-11,13H,1,3,9,14H2/b11-10+
InChIKeySAZIERPNXGIPMH-ZHACJKMWSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1,4-diphenylbut-3-en-2-amine
CID 123901832
1,4-diphenylbut-3-en-2-amine
CID 77474481
[(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene
CID 24895615
N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine
CID 104582439
2-[(E)-2-phenylethenyl]pent-4-enal
CID 12714689
(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
CID 134955286
6-phenyl-4-(2-phenylethenyl)hex-5-en-1-amine
CID 139723158
2-phenylhepta-1,6-dien-3-ol
CID 13086296
[(1S)-1-fluoropent-4-enyl]benzene
CID 69121356
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
[(E)-3-but-3-enylsulfanylprop-1-enyl]benzene
CID 89232811
1-(2-iodophenyl)pent-4-en-1-amine
CID 104987635

Frequently Asked Questions

What is the IUPAC name of (1E)-1-phenylhepta-1,6-dien-3-amine?
The IUPAC name of (1E)-1-phenylhepta-1,6-dien-3-amine (CID 11542895) is (1E)-1-phenylhepta-1,6-dien-3-amine.
What is the SMILES notation for (1E)-1-phenylhepta-1,6-dien-3-amine?
The canonical SMILES for (1E)-1-phenylhepta-1,6-dien-3-amine is C=CCCC(N)/C=C/c1ccccc1.
What is the InChIKey of (1E)-1-phenylhepta-1,6-dien-3-amine?
The InChIKey is SAZIERPNXGIPMH-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H17N/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h2,4-8,10-11,13H,1,3,9,14H2/b11-10+.
What are the key properties of (1E)-1-phenylhepta-1,6-dien-3-amine?
(1E)-1-phenylhepta-1,6-dien-3-amine has a molecular weight of 187.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-phenylhepta-1,6-dien-3-amine is sourced from PubChem (CID 11542895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).