methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium

C15H20N+ — CID 118987995

IUPACmethyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium
SMILESC#CC[NH+](C)CCCC(=C)c1ccccc1
InChIInChI=1S/C15H19N/c1-4-12-16(3)13-8-9-14(2)15-10-6-5-7-11-15/h1,5-7,10-11H,2,8-9,12-13H2,3H3/p+1
InChIKeyDRKIFMHTXNIAER-UHFFFAOYSA-O
MW214.33 g/mol
LogP1.63
Rot. Bonds6

About methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium

methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium (PubChem CID 118987995) has the molecular formula C15H20N+ and a molecular weight of 214.33 g/mol. Its IUPAC name is methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium.

Molecular Properties

Compound Namemethyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium
PubChem CID118987995
Molecular FormulaC15H20N+
Molecular Weight214.33 g/mol
Exact Mass214.16
IUPAC Namemethyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium
SMILESC#CC[NH+](C)CCCC(=C)c1ccccc1
InChIInChI=1S/C15H19N/c1-4-12-16(3)13-8-9-14(2)15-10-6-5-7-11-15/h1,5-7,10-11H,2,8-9,12-13H2,3H3/p+1
InChIKeyDRKIFMHTXNIAER-UHFFFAOYSA-O
XLogP1.63
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)prop-2-enyl-methyl-prop-2-ynylazanium
CID 118987166
2-benzylprop-2-enyl-methyl-prop-2-ynylazanium
CID 144859393
methyl-prop-2-ynyl-(2-pyridin-4-ylprop-2-enyl)azanium
CID 118987999
CID 101454794
CID 101454794
pent-1-en-2-ylbenzene
CID 521761
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
N-(2-phenylprop-2-enyl)pent-4-yn-1-amine
CID 106221350
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
CID 173456642
ethyl-(2-phenylprop-2-enyl)-prop-2-ynylazanium;2-hydroxy-2-oxoacetate
CID 118733560
N-(4-phenylpent-4-enyl)acetamide
CID 10798197
6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane
CID 175036788
ethyl 5-phenylhex-5-enoate
CID 146276439

Frequently Asked Questions

What is the IUPAC name of methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium?
The IUPAC name of methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium (CID 118987995) is methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium.
What is the SMILES notation for methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium?
The canonical SMILES for methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium is C#CC[NH+](C)CCCC(=C)c1ccccc1.
What is the InChIKey of methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium?
The InChIKey is DRKIFMHTXNIAER-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N/c1-4-12-16(3)13-8-9-14(2)15-10-6-5-7-11-15/h1,5-7,10-11H,2,8-9,12-13H2,3H3/p+1.
What are the key properties of methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium?
methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium has a molecular weight of 214.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium is sourced from PubChem (CID 118987995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).