(2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine

C20H23N — CID 10707695

IUPAC(2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine
SMILESC/C=C/C=C\[C@H](Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H23N/c1-2-3-6-15-20(16-18-11-7-4-8-12-18)21-17-19-13-9-5-10-14-19/h2-15,20-21H,16-17H2,1H3/b3-2+,15-6-/t20-/m1/s1
InChIKeyJIJXENNDRKHQMS-XEDSUSCESA-N
MW277.41 g/mol
LogP4.52
Rot. Bonds7

About (2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine

(2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine (PubChem CID 10707695) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine
PubChem CID10707695
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine
SMILESC/C=C/C=C\[C@H](Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H23N/c1-2-3-6-15-20(16-18-11-7-4-8-12-18)21-17-19-13-9-5-10-14-19/h2-15,20-21H,16-17H2,1H3/b3-2+,15-6-/t20-/m1/s1
InChIKeyJIJXENNDRKHQMS-XEDSUSCESA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine
CID 10491814
N-benzylpent-3-en-2-amine
CID 71339896
(4E)-N-benzylhexa-1,4-dien-3-amine
CID 11513891
N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine
CID 14249733
CID 10991573
CID 10991573
(2R,3E,5Z)-N-benzyl-3-ethenylhepta-3,5-dien-2-amine
CID 170263201
2-(ethylamino)-3-phenylpropanal
CID 3325220
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(E)-1-phenylpent-3-en-2-ol
CID 15211245
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
N-benzyl-1-silylethanamine
CID 173405128
N-benzyl-5-phenylpent-1-en-3-amine
CID 11402494

Frequently Asked Questions

What is the IUPAC name of (2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine?
The IUPAC name of (2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine (CID 10707695) is (2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine.
What is the SMILES notation for (2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine?
The canonical SMILES for (2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine is C/C=C/C=C\[C@H](Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of (2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine?
The InChIKey is JIJXENNDRKHQMS-XEDSUSCESA-N. The full InChI is InChI=1S/C20H23N/c1-2-3-6-15-20(16-18-11-7-4-8-12-18)21-17-19-13-9-5-10-14-19/h2-15,20-21H,16-17H2,1H3/b3-2+,15-6-/t20-/m1/s1.
What are the key properties of (2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine?
(2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine has a molecular weight of 277.41 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine is sourced from PubChem (CID 10707695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).