N-benzyl-N-prop-2-enylpent-4-yn-1-amine

C15H19N — CID 102338233

IUPACN-benzyl-N-prop-2-enylpent-4-yn-1-amine
SMILESC#CCCCN(CC=C)Cc1ccccc1
InChIInChI=1S/C15H19N/c1-3-5-9-13-16(12-4-2)14-15-10-7-6-8-11-15/h1,4,6-8,10-11H,2,5,9,12-14H2
InChIKeyKNDWJEZYHAFSNH-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.09
Rot. Bonds7

About N-benzyl-N-prop-2-enylpent-4-yn-1-amine

N-benzyl-N-prop-2-enylpent-4-yn-1-amine (PubChem CID 102338233) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-benzyl-N-prop-2-enylpent-4-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-N-prop-2-enylpent-4-yn-1-amine
PubChem CID102338233
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-benzyl-N-prop-2-enylpent-4-yn-1-amine
SMILESC#CCCCN(CC=C)Cc1ccccc1
InChIInChI=1S/C15H19N/c1-3-5-9-13-16(12-4-2)14-15-10-7-6-8-11-15/h1,4,6-8,10-11H,2,5,9,12-14H2
InChIKeyKNDWJEZYHAFSNH-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
N'-benzyl-N'-but-3-ynylpropane-1,3-diamine
CID 107367143
4-[benzyl(prop-2-enyl)amino]-2-methylidenebutanenitrile
CID 10799280
N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine
CID 144634917
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
2-[[benzyl(prop-2-enyl)amino]methyl]phenol
CID 11391135
tert-butyl 3-[benzyl(prop-2-enyl)amino]propanoate
CID 102165684
N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine
CID 122203539
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467
N,N-dibenzyl-3-[ethenyl(dimethyl)silyl]propan-1-amine
CID 68781079
N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 138519013

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-prop-2-enylpent-4-yn-1-amine?
The IUPAC name of N-benzyl-N-prop-2-enylpent-4-yn-1-amine (CID 102338233) is N-benzyl-N-prop-2-enylpent-4-yn-1-amine.
What is the SMILES notation for N-benzyl-N-prop-2-enylpent-4-yn-1-amine?
The canonical SMILES for N-benzyl-N-prop-2-enylpent-4-yn-1-amine is C#CCCCN(CC=C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-prop-2-enylpent-4-yn-1-amine?
The InChIKey is KNDWJEZYHAFSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-5-9-13-16(12-4-2)14-15-10-7-6-8-11-15/h1,4,6-8,10-11H,2,5,9,12-14H2.
What are the key properties of N-benzyl-N-prop-2-enylpent-4-yn-1-amine?
N-benzyl-N-prop-2-enylpent-4-yn-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-prop-2-enylpent-4-yn-1-amine is sourced from PubChem (CID 102338233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).