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

C19H21N — CID 10491814

IUPAC(2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine
SMILESC=C/C=C\[C@H](Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C19H21N/c1-2-3-14-19(15-17-10-6-4-7-11-17)20-16-18-12-8-5-9-13-18/h2-14,19-20H,1,15-16H2/b14-3-/t19-/m1/s1
InChIKeyIJIVRWYDQBUOQN-SVCIFPNUSA-N
MW263.38 g/mol
LogP4.13
Rot. Bonds7

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

(2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine (PubChem CID 10491814) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine
PubChem CID10491814
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine
SMILESC=C/C=C\[C@H](Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C19H21N/c1-2-3-14-19(15-17-10-6-4-7-11-17)20-16-18-12-8-5-9-13-18/h2-14,19-20H,1,15-16H2/b14-3-/t19-/m1/s1
InChIKeyIJIVRWYDQBUOQN-SVCIFPNUSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.13
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,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine
CID 10707695
CID 10991573
CID 10991573
N-benzyl-5-phenylpent-1-en-3-amine
CID 11402494
1-N'-benzylprop-2-ene-1,1-diamine
CID 67413433
(2S)-N-benzyl-1-phenylmethoxybut-3-en-2-amine
CID 23583582
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
N-[(4Z)-hepta-4,6-dien-3-yl]aniline
CID 88908793
(4E)-N-benzylhexa-1,4-dien-3-amine
CID 11513891
(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
CID 101210967
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
buta-1,3-dienyl(triphenyl)phosphanium
CID 2752732
(2R)-N-benzylhex-5-en-2-amine
CID 97107585

Frequently Asked Questions

What is the IUPAC name of (2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine?
The IUPAC name of (2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine (CID 10491814) is (2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine.
What is the SMILES notation for (2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine?
The canonical SMILES for (2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine is C=C/C=C\[C@H](Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of (2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine?
The InChIKey is IJIVRWYDQBUOQN-SVCIFPNUSA-N. The full InChI is InChI=1S/C19H21N/c1-2-3-14-19(15-17-10-6-4-7-11-17)20-16-18-12-8-5-9-13-18/h2-14,19-20H,1,15-16H2/b14-3-/t19-/m1/s1.
What are the key properties of (2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine?
(2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine has a molecular weight of 263.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine is sourced from PubChem (CID 10491814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).