N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine

C15H21N — CID 144634917

IUPACN-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine
SMILESC=CCN(CCC(=C)C)Cc1ccccc1
InChIInChI=1S/C15H21N/c1-4-11-16(12-10-14(2)3)13-15-8-6-5-7-9-15/h4-9H,1-2,10-13H2,3H3
InChIKeyUSUQWPFGNDJZCG-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.64
Rot. Bonds7

About N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine

N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine (PubChem CID 144634917) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine
PubChem CID144634917
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine
SMILESC=CCN(CCC(=C)C)Cc1ccccc1
InChIInChI=1S/C15H21N/c1-4-11-16(12-10-14(2)3)13-15-8-6-5-7-9-15/h4-9H,1-2,10-13H2,3H3
InChIKeyUSUQWPFGNDJZCG-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[benzyl(prop-2-enyl)amino]-2-methylidenebutanenitrile
CID 10799280
tert-butyl 3-[benzyl(prop-2-enyl)amino]propanoate
CID 102165684
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
2-[[benzyl(prop-2-enyl)amino]methyl]phenol
CID 11391135
(E)-N-benzyl-2-bromo-N-prop-2-enylbut-2-en-1-amine
CID 10612741
N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine
CID 122203539
N-benzyl-N-prop-2-enylpent-4-yn-1-amine
CID 102338233
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
3-[prop-2-enyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82327980
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
CID 112818476
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine?
The IUPAC name of N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine (CID 144634917) is N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine.
What is the SMILES notation for N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine?
The canonical SMILES for N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine is C=CCN(CCC(=C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine?
The InChIKey is USUQWPFGNDJZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-11-16(12-10-14(2)3)13-15-8-6-5-7-9-15/h4-9H,1-2,10-13H2,3H3.
What are the key properties of N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine?
N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine is sourced from PubChem (CID 144634917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).