2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine

C13H22N2 — CID 114989368

IUPAC2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)NC(C)(CN)Cc1ccccc1
InChIInChI=1S/C13H22N2/c1-11(2)15-13(3,10-14)9-12-7-5-4-6-8-12/h4-8,11,15H,9-10,14H2,1-3H3
InChIKeyROMWGVONPOXWAX-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.94
Rot. Bonds5

About 2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine

2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 114989368) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID114989368
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)NC(C)(CN)Cc1ccccc1
InChIInChI=1S/C13H22N2/c1-11(2)15-13(3,10-14)9-12-7-5-4-6-8-12/h4-8,11,15H,9-10,14H2,1-3H3
InChIKeyROMWGVONPOXWAX-UHFFFAOYSA-N
XLogP1.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine (CID 114989368) is 2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine is CC(C)NC(C)(CN)Cc1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is ROMWGVONPOXWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)15-13(3,10-14)9-12-7-5-4-6-8-12/h4-8,11,15H,9-10,14H2,1-3H3.
What are the key properties of 2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 114989368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).