1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

C17H30N2 — CID 106313152

IUPAC1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCC(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-12(2)16(13(3)4)10-19-11-17(18)15-8-6-14(5)7-9-15/h6-9,12-13,16-17,19H,10-11,18H2,1-5H3
InChIKeyOBEOVEZKCIRUQD-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.51
Rot. Bonds7

About 1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (PubChem CID 106313152) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
PubChem CID106313152
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCC(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-12(2)16(13(3)4)10-19-11-17(18)15-8-6-14(5)7-9-15/h6-9,12-13,16-17,19H,10-11,18H2,1-5H3
InChIKeyOBEOVEZKCIRUQD-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-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

Plerixafor
CID 65015
Fendiline
CID 3336
Terodiline
CID 23480
N-Ethylamphetamine
CID 9982
N-ethyl-1-phenylcyclohexanamine
CID 16622
Benzathine
CID 8793
Fendiline Hydrochloride
CID 5702162
Benzhydrylpiperazine
CID 70048
Isopropylbenzylamine
CID 66024
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
Norbenzphetamine
CID 102554
1-(4-Methylphenyl)ethylamine
CID 577386

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (CID 106313152) is 1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is Cc1ccc(C(N)CNCC(C(C)C)C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The InChIKey is OBEOVEZKCIRUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)16(13(3)4)10-19-11-17(18)15-8-6-14(5)7-9-15/h6-9,12-13,16-17,19H,10-11,18H2,1-5H3.
What are the key properties of 1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 106313152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).