N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine

C31H46N4 — CID 165139449

IUPACN-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine
SMILESC=C(NCc1ccccc1)C1CCCN1C.C=CC1CCN(C(=C)C)CC1.NCc1ccccc1
InChIInChI=1S/C14H20N2.C10H17N.C7H9N/c1-12(14-9-6-10-16(14)2)15-11-13-7-4-3-5-8-13;1-4-10-5-7-11(8-6-10)9(2)3;8-6-7-4-2-1-3-5-7/h3-5,7-8,14-15H,1,6,9-11H2,2H3;4,10H,1-2,5-8H2,3H3;1-5H,6,8H2
InChIKeyFSEWENYEPVUVKG-UHFFFAOYSA-N
MW474.74 g/mol
LogP5.95
Rot. Bonds7

About N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine

N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine (PubChem CID 165139449) has the molecular formula C31H46N4 and a molecular weight of 474.74 g/mol. Its IUPAC name is N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine
PubChem CID165139449
Molecular FormulaC31H46N4
Molecular Weight474.74 g/mol
Exact Mass474.37
IUPAC NameN-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine
SMILESC=C(NCc1ccccc1)C1CCCN1C.C=CC1CCN(C(=C)C)CC1.NCc1ccccc1
InChIInChI=1S/C14H20N2.C10H17N.C7H9N/c1-12(14-9-6-10-16(14)2)15-11-13-7-4-3-5-8-13;1-4-10-5-7-11(8-6-10)9(2)3;8-6-7-4-2-1-3-5-7/h3-5,7-8,14-15H,1,6,9-11H2,2H3;4,10H,1-2,5-8H2,3H3;1-5H,6,8H2
InChIKeyFSEWENYEPVUVKG-UHFFFAOYSA-N
XLogP5.95
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.74
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine
CID 171097272
1-(1-aminoprop-2-enyl)pyrazol-4-amine;N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;cumene
CID 165139633
N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;(2-fluoro-3-pyridinyl)methanediamine;1-prop-2-enylbenzimidazole
CID 165138389
sodium;N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;5-prop-2-enyl-2H-quinolin-2-ide
CID 165139684
N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;3-cyclopropyl-2-fluoropyridine;4-methyl-2-prop-2-enyl-3H-pyrrol-5-amine
CID 171097473
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;3-(3,3-difluorocyclobutyl)-2-fluoropyridine;2-prop-2-enyl-3H-pyrrole
CID 171097468
N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-(2-fluoro-3-pyridinyl)cyclopropan-1-amine;1-(2-hydrazinylphenyl)but-3-en-1-imine
CID 171097527
N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;3-(3,3-difluorocyclobutyl)-2-fluoropyridine;(2Z)-1,1,1-trifluoro-3-hydrazinylhexa-2,5-dien-2-amine
CID 165140642
1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine
CID 165139211
sodium;5-[2-[1-(benzylamino)ethenyl]pyrrolidin-1-yl]hexa-1,5-dien-2-amine;ethylbenzene
CID 171097489
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
CID 129033929

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine?
The IUPAC name of N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine (CID 165139449) is N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine.
What is the SMILES notation for N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine?
The canonical SMILES for N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine is C=C(NCc1ccccc1)C1CCCN1C.C=CC1CCN(C(=C)C)CC1.NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine?
The InChIKey is FSEWENYEPVUVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C10H17N.C7H9N/c1-12(14-9-6-10-16(14)2)15-11-13-7-4-3-5-8-13;1-4-10-5-7-11(8-6-10)9(2)3;8-6-7-4-2-1-3-5-7/h3-5,7-8,14-15H,1,6,9-11H2,2H3;4,10H,1-2,5-8H2,3H3;1-5H,6,8H2.
What are the key properties of N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine?
N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine has a molecular weight of 474.74 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;4-ethenyl-1-prop-1-en-2-ylpiperidine;phenylmethanamine is sourced from PubChem (CID 165139449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).