(Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine

C26H29N — CID 101465131

IUPAC(Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine
SMILESC[C@H](/C=C\CCc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N/c1-22(13-11-12-16-23-14-5-2-6-15-23)26(25-19-9-4-10-20-25)27-21-24-17-7-3-8-18-24/h2-11,13-15,17-20,22,26-27H,12,16,21H2,1H3/b13-11-/t22-,26-/m1/s1
InChIKeyAZSJOWBTKSZBMQ-AHSRSXCNSA-N
MW355.53 g/mol
LogP6.34
Rot. Bonds9

About (Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine

(Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine (PubChem CID 101465131) has the molecular formula C26H29N and a molecular weight of 355.53 g/mol. Its IUPAC name is (Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine.

Molecular Properties

Compound Name(Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine
PubChem CID101465131
Molecular FormulaC26H29N
Molecular Weight355.53 g/mol
Exact Mass355.23
IUPAC Name(Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine
SMILESC[C@H](/C=C\CCc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N/c1-22(13-11-12-16-23-14-5-2-6-15-23)26(25-19-9-4-10-20-25)27-21-24-17-7-3-8-18-24/h2-11,13-15,17-20,22,26-27H,12,16,21H2,1H3/b13-11-/t22-,26-/m1/s1
InChIKeyAZSJOWBTKSZBMQ-AHSRSXCNSA-N
XLogP6.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.53
LogP ≤ 56.34
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

(E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine
CID 101491741
[[(E,1S,2S)-2-methyl-1,6-diphenylhex-3-enyl]amino] benzoate
CID 53392360
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
3-[(E)-6-phenylhex-3-en-2-yl]pentane-2,4-dione
CID 122393603
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
(E)-2-benzyl-6-phenylhex-3-en-1-ol
CID 11529105
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
2-[(benzylamino)-phenylmethyl]propanedioic acid
CID 19764581

Frequently Asked Questions

What is the IUPAC name of (Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine?
The IUPAC name of (Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine (CID 101465131) is (Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine.
What is the SMILES notation for (Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine?
The canonical SMILES for (Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine is C[C@H](/C=C\CCc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1.
What is the InChIKey of (Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine?
The InChIKey is AZSJOWBTKSZBMQ-AHSRSXCNSA-N. The full InChI is InChI=1S/C26H29N/c1-22(13-11-12-16-23-14-5-2-6-15-23)26(25-19-9-4-10-20-25)27-21-24-17-7-3-8-18-24/h2-11,13-15,17-20,22,26-27H,12,16,21H2,1H3/b13-11-/t22-,26-/m1/s1.
What are the key properties of (Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine?
(Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine has a molecular weight of 355.53 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine is sourced from PubChem (CID 101465131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).