1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine

C18H32N2 — CID 66452564

IUPAC1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)c1ccc(C)cc1C
InChIInChI=1S/C18H32N2/c1-8-11-19-16(4)18(5,6)13-20(7)17-10-9-14(2)12-15(17)3/h9-10,12,16,19H,8,11,13H2,1-7H3
InChIKeyPIIQXKAQNJXZAZ-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.15
Rot. Bonds7

About 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine

1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine (PubChem CID 66452564) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
PubChem CID66452564
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)c1ccc(C)cc1C
InChIInChI=1S/C18H32N2/c1-8-11-19-16(4)18(5,6)13-20(7)17-10-9-14(2)12-15(17)3/h9-10,12,16,19H,8,11,13H2,1-7H3
InChIKeyPIIQXKAQNJXZAZ-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine 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-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452350
1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66454727
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
1-N-(3-fluorophenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453425
N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62260646
3-N-ethyl-1-N,2,2-trimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
CID 66454941
N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63504265
2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid
CID 62272164
1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine
CID 66453646
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106
N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
CID 79771567
1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66455352

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine (CID 66452564) is 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine is CCCNC(C)C(C)(C)CN(C)c1ccc(C)cc1C.
What is the InChIKey of 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is PIIQXKAQNJXZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-8-11-19-16(4)18(5,6)13-20(7)17-10-9-14(2)12-15(17)3/h9-10,12,16,19H,8,11,13H2,1-7H3.
What are the key properties of 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 66452564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).