(E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine

C15H19N — CID 122385230

IUPAC(E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(C)C/C=C/c1ccc(C)c(C)c1
InChIInChI=1S/C15H19N/c1-5-10-16(4)11-6-7-15-9-8-13(2)14(3)12-15/h1,6-9,12H,10-11H2,2-4H3/b7-6+
InChIKeyFNWVOSCCORYNMO-VOTSOKGWSA-N
MW213.32 g/mol
LogP2.88
Rot. Bonds4

About (E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine

(E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine (PubChem CID 122385230) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
PubChem CID122385230
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(C)C/C=C/c1ccc(C)c(C)c1
InChIInChI=1S/C15H19N/c1-5-10-16(4)11-6-7-15-9-8-13(2)14(3)12-15/h1,6-9,12H,10-11H2,2-4H3/b7-6+
InChIKeyFNWVOSCCORYNMO-VOTSOKGWSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 122385228
4-but-1-enyl-1,2-dimethylbenzene
CID 54516988
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine
CID 144895148
4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
CID 79592282
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
3-(3,4-dimethylphenyl)prop-2-enyl hydrogen carbonate
CID 175063351
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 139552946
5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline
CID 115111096
4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene
CID 135010442
2-[3-(3,4-dimethylphenyl)prop-2-enyl]-1H-imidazole
CID 70614315

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine (CID 122385230) is (E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine is C#CCN(C)C/C=C/c1ccc(C)c(C)c1.
What is the InChIKey of (E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The InChIKey is FNWVOSCCORYNMO-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H19N/c1-5-10-16(4)11-6-7-15-9-8-13(2)14(3)12-15/h1,6-9,12H,10-11H2,2-4H3/b7-6+.
What are the key properties of (E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
(E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine is sourced from PubChem (CID 122385230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).