(4E)-N-benzylhexa-1,4-dien-3-amine

C13H17N — CID 11513891

IUPAC(4E)-N-benzylhexa-1,4-dien-3-amine
SMILESC=CC(/C=C/C)NCc1ccccc1
InChIInChI=1S/C13H17N/c1-3-8-13(4-2)14-11-12-9-6-5-7-10-12/h3-10,13-14H,2,11H2,1H3/b8-3+
InChIKeyMUYVAFUBEASKDK-FPYGCLRLSA-N
MW187.29 g/mol
LogP2.91
Rot. Bonds5

About (4E)-N-benzylhexa-1,4-dien-3-amine

(4E)-N-benzylhexa-1,4-dien-3-amine (PubChem CID 11513891) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (4E)-N-benzylhexa-1,4-dien-3-amine.

Molecular Properties

Compound Name(4E)-N-benzylhexa-1,4-dien-3-amine
PubChem CID11513891
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(4E)-N-benzylhexa-1,4-dien-3-amine
SMILESC=CC(/C=C/C)NCc1ccccc1
InChIInChI=1S/C13H17N/c1-3-8-13(4-2)14-11-12-9-6-5-7-10-12/h3-10,13-14H,2,11H2,1H3/b8-3+
InChIKeyMUYVAFUBEASKDK-FPYGCLRLSA-N
XLogP2.91
TPSA12.03 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 ≤ 52.91
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

N-benzylpent-3-en-2-amine
CID 71339896
1-N'-benzylprop-2-ene-1,1-diamine
CID 67413433
benzyl N-[(3R,4E)-hexa-1,4-dien-3-yl]carbamate
CID 101429851
(3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine
CID 10911987
(2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine
CID 10707695
(2R,3R)-2-(benzylamino)-3-methylpent-4-enoic acid
CID 124634030
N-benzyl-5-phenylpent-1-en-3-amine
CID 11402494
(2R,3E,5Z)-N-benzyl-3-ethenylhepta-3,5-dien-2-amine
CID 170263201
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
(2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine
CID 10491814
(2S)-N-benzyl-1-phenylmethoxybut-3-en-2-amine
CID 23583582
N-benzyl-1-silylethanamine
CID 173405128

Frequently Asked Questions

What is the IUPAC name of (4E)-N-benzylhexa-1,4-dien-3-amine?
The IUPAC name of (4E)-N-benzylhexa-1,4-dien-3-amine (CID 11513891) is (4E)-N-benzylhexa-1,4-dien-3-amine.
What is the SMILES notation for (4E)-N-benzylhexa-1,4-dien-3-amine?
The canonical SMILES for (4E)-N-benzylhexa-1,4-dien-3-amine is C=CC(/C=C/C)NCc1ccccc1.
What is the InChIKey of (4E)-N-benzylhexa-1,4-dien-3-amine?
The InChIKey is MUYVAFUBEASKDK-FPYGCLRLSA-N. The full InChI is InChI=1S/C13H17N/c1-3-8-13(4-2)14-11-12-9-6-5-7-10-12/h3-10,13-14H,2,11H2,1H3/b8-3+.
What are the key properties of (4E)-N-benzylhexa-1,4-dien-3-amine?
(4E)-N-benzylhexa-1,4-dien-3-amine has a molecular weight of 187.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-benzylhexa-1,4-dien-3-amine is sourced from PubChem (CID 11513891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).