2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine

C14H24N2 — CID 63063428

IUPAC2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
SMILESCc1c(N)cccc1N(CC(C)C)C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)9-16(11(3)4)14-8-6-7-13(15)12(14)5/h6-8,10-11H,9,15H2,1-5H3
InChIKeyRXKIURAZCYSVGD-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.45
Rot. Bonds4

About 2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine

2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine (PubChem CID 63063428) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
PubChem CID63063428
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
SMILESCc1c(N)cccc1N(CC(C)C)C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)9-16(11(3)4)14-8-6-7-13(15)12(14)5/h6-8,10-11H,9,15H2,1-5H3
InChIKeyRXKIURAZCYSVGD-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine?
The IUPAC name of 2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine (CID 63063428) is 2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine?
The canonical SMILES for 2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine is Cc1c(N)cccc1N(CC(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine?
The InChIKey is RXKIURAZCYSVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(2)9-16(11(3)4)14-8-6-7-13(15)12(14)5/h6-8,10-11H,9,15H2,1-5H3.
What are the key properties of 2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine?
2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 63063428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).