1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine

C18H32N2 — CID 63473286

IUPAC1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)c1cc(C)cc(C)c1
InChIInChI=1S/C18H32N2/c1-6-7-8-9-20(14(2)3)18(13-19)17-11-15(4)10-16(5)12-17/h10-12,14,18H,6-9,13,19H2,1-5H3
InChIKeyZSAFKXARKHLYFG-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.20
Rot. Bonds8

About 1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine

1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 63473286) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
PubChem CID63473286
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)c1cc(C)cc(C)c1
InChIInChI=1S/C18H32N2/c1-6-7-8-9-20(14(2)3)18(13-19)17-11-15(4)10-16(5)12-17/h10-12,14,18H,6-9,13,19H2,1-5H3
InChIKeyZSAFKXARKHLYFG-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-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-(3-chloro-5-fluorophenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 114453335
1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 62133905
1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269372
1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55001862
1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 63898659
1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79490465
1-(3,5-dimethoxyphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269422
1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55002445
1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine
CID 54919770
N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 43294622
1-(3-chloro-5-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 114453248
2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
CID 79409903

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine (CID 63473286) is 1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine is CCCCCN(C(C)C)C(CN)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is ZSAFKXARKHLYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-7-8-9-20(14(2)3)18(13-19)17-11-15(4)10-16(5)12-17/h10-12,14,18H,6-9,13,19H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63473286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).