3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine

C17H25N — CID 146003255

IUPAC3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine
SMILESCCCN(CC#Cc1ccc(C)cc1C)CCC
InChIInChI=1S/C17H25N/c1-5-11-18(12-6-2)13-7-8-17-10-9-15(3)14-16(17)4/h9-10,14H,5-6,11-13H2,1-4H3
InChIKeyCJLROQFRJROMAO-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.78
Rot. Bonds5

About 3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine

3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine (PubChem CID 146003255) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine
PubChem CID146003255
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine
SMILESCCCN(CC#Cc1ccc(C)cc1C)CCC
InChIInChI=1S/C17H25N/c1-5-11-18(12-6-2)13-7-8-17-10-9-15(3)14-16(17)4/h9-10,14H,5-6,11-13H2,1-4H3
InChIKeyCJLROQFRJROMAO-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-but-1-ynyl-2,4-dimethylbenzene
CID 145401226
2,4-dimethyl-1-non-1-ynylbenzene
CID 146003256
4-(2,4-dimethylphenyl)but-3-yn-1-ol
CID 60801281
1-(4-chlorobut-1-ynyl)-2,4-dimethylbenzene
CID 60799689
2-(2,4-dimethylphenyl)ethynylthallium
CID 142762596
2,4-dimethyl-1-[2-(4-methylphenyl)ethynyl]benzene;1-[2-(4-ethylphenyl)ethynyl]-2,4-dimethylbenzene
CID 158296087
N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54806040
3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146003063
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride
CID 3049689
2-(3-bromoprop-1-ynyl)-1,4-dimethylbenzene
CID 126971803
2-(4-hydroxybut-1-ynyl)-5-methyl-N,N-dipropylbenzamide
CID 81111205

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine (CID 146003255) is 3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine is CCCN(CC#Cc1ccc(C)cc1C)CCC.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine?
The InChIKey is CJLROQFRJROMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-5-11-18(12-6-2)13-7-8-17-10-9-15(3)14-16(17)4/h9-10,14H,5-6,11-13H2,1-4H3.
What are the key properties of 3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine?
3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine is sourced from PubChem (CID 146003255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).