2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine

C17H30N2 — CID 84752095

IUPAC2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
SMILESCCCN(CCC)C(C)(CN)Cc1ccccc1C
InChIInChI=1S/C17H30N2/c1-5-11-19(12-6-2)17(4,14-18)13-16-10-8-7-9-15(16)3/h7-10H,5-6,11-14,18H2,1-4H3
InChIKeyDIQJFJAMQKKIIT-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.38
Rot. Bonds8

About 2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine

2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine (PubChem CID 84752095) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
PubChem CID84752095
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
SMILESCCCN(CCC)C(C)(CN)Cc1ccccc1C
InChIInChI=1S/C17H30N2/c1-5-11-19(12-6-2)17(4,14-18)13-16-10-8-7-9-15(16)3/h7-10H,5-6,11-14,18H2,1-4H3
InChIKeyDIQJFJAMQKKIIT-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine?
The IUPAC name of 2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine (CID 84752095) is 2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine.
What is the SMILES notation for 2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine?
The canonical SMILES for 2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine is CCCN(CCC)C(C)(CN)Cc1ccccc1C.
What is the InChIKey of 2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine?
The InChIKey is DIQJFJAMQKKIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-11-19(12-6-2)17(4,14-18)13-16-10-8-7-9-15(16)3/h7-10H,5-6,11-14,18H2,1-4H3.
What are the key properties of 2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine?
2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine is sourced from PubChem (CID 84752095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).