N-benzyl-5-phenylpent-1-en-3-amine

C18H21N — CID 11402494

IUPACN-benzyl-5-phenylpent-1-en-3-amine
SMILESC=CC(CCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H21N/c1-2-18(14-13-16-9-5-3-6-10-16)19-15-17-11-7-4-8-12-17/h2-12,18-19H,1,13-15H2
InChIKeyAVHFLKKHNUDICY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.96
Rot. Bonds7

About N-benzyl-5-phenylpent-1-en-3-amine

N-benzyl-5-phenylpent-1-en-3-amine (PubChem CID 11402494) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-benzyl-5-phenylpent-1-en-3-amine.

Molecular Properties

Compound NameN-benzyl-5-phenylpent-1-en-3-amine
PubChem CID11402494
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-benzyl-5-phenylpent-1-en-3-amine
SMILESC=CC(CCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H21N/c1-2-18(14-13-16-9-5-3-6-10-16)19-15-17-11-7-4-8-12-17/h2-12,18-19H,1,13-15H2
InChIKeyAVHFLKKHNUDICY-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.96
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

(3R)-N-methyl-5-phenylpent-1-en-3-amine
CID 124509710
(2S)-N-benzyl-1-phenylmethoxybut-3-en-2-amine
CID 23583582
1-N'-benzylprop-2-ene-1,1-diamine
CID 67413433
methyl 9-(benzylamino)undec-10-enoate
CID 134838950
CID 10991573
CID 10991573
2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline
CID 102050162
(2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine
CID 10491814
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999
(4E)-N-benzylhexa-1,4-dien-3-amine
CID 11513891
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
5-(3-methylphenyl)-N-propylpent-1-en-3-amine
CID 105161314

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-phenylpent-1-en-3-amine?
The IUPAC name of N-benzyl-5-phenylpent-1-en-3-amine (CID 11402494) is N-benzyl-5-phenylpent-1-en-3-amine.
What is the SMILES notation for N-benzyl-5-phenylpent-1-en-3-amine?
The canonical SMILES for N-benzyl-5-phenylpent-1-en-3-amine is C=CC(CCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-phenylpent-1-en-3-amine?
The InChIKey is AVHFLKKHNUDICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-18(14-13-16-9-5-3-6-10-16)19-15-17-11-7-4-8-12-17/h2-12,18-19H,1,13-15H2.
What are the key properties of N-benzyl-5-phenylpent-1-en-3-amine?
N-benzyl-5-phenylpent-1-en-3-amine has a molecular weight of 251.37 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenylpent-1-en-3-amine is sourced from PubChem (CID 11402494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).