(E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine

C25H35N — CID 101491741

IUPAC(E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine
SMILESCCCCCCC/C=C/[C@H](C)[C@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H35N/c1-3-4-5-6-7-8-11-16-22(2)25(24-19-14-10-15-20-24)26-21-23-17-12-9-13-18-23/h9-20,22,25-26H,3-8,21H2,1-2H3/b16-11+/t22-,25-/m0/s1
InChIKeyBBFGXIMZSYEIHU-ICUFOFBBSA-N
MW349.56 g/mol
LogP7.07
Rot. Bonds12

About (E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine

(E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine (PubChem CID 101491741) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is (E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine.

Molecular Properties

Compound Name(E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine
PubChem CID101491741
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name(E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine
SMILESCCCCCCC/C=C/[C@H](C)[C@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H35N/c1-3-4-5-6-7-8-11-16-22(2)25(24-19-14-10-15-20-24)26-21-23-17-12-9-13-18-23/h9-20,22,25-26H,3-8,21H2,1-2H3/b16-11+/t22-,25-/m0/s1
InChIKeyBBFGXIMZSYEIHU-ICUFOFBBSA-N
XLogP7.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine
CID 101465131
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dodec-3-en-2-ylbenzene
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(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
(E)-1-phenyloct-2-en-1-ol
CID 10822082
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
(2R)-N-benzylheptan-2-amine
CID 14923313
N-benzyltridecan-6-amine
CID 166644944
1-N,1-N'-dibenzyloct-1-ene-1,1-diamine
CID 139931030

Frequently Asked Questions

What is the IUPAC name of (E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine?
The IUPAC name of (E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine (CID 101491741) is (E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine.
What is the SMILES notation for (E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine?
The canonical SMILES for (E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine is CCCCCCC/C=C/[C@H](C)[C@H](NCc1ccccc1)c1ccccc1.
What is the InChIKey of (E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine?
The InChIKey is BBFGXIMZSYEIHU-ICUFOFBBSA-N. The full InChI is InChI=1S/C25H35N/c1-3-4-5-6-7-8-11-16-22(2)25(24-19-14-10-15-20-24)26-21-23-17-12-9-13-18-23/h9-20,22,25-26H,3-8,21H2,1-2H3/b16-11+/t22-,25-/m0/s1.
What are the key properties of (E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine?
(E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine has a molecular weight of 349.56 g/mol, XLogP of 7.07, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine is sourced from PubChem (CID 101491741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).