2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine

C14H24N2 — CID 65384350

IUPAC2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine
SMILESCC(C)CNC(C)(CN)Cc1ccccc1
InChIInChI=1S/C14H24N2/c1-12(2)10-16-14(3,11-15)9-13-7-5-4-6-8-13/h4-8,12,16H,9-11,15H2,1-3H3
InChIKeyCALPCZMPGODOJS-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.19
Rot. Bonds6

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

2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine (PubChem CID 65384350) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine
PubChem CID65384350
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine
SMILESCC(C)CNC(C)(CN)Cc1ccccc1
InChIInChI=1S/C14H24N2/c1-12(2)10-16-14(3,11-15)9-13-7-5-4-6-8-13/h4-8,12,16H,9-11,15H2,1-3H3
InChIKeyCALPCZMPGODOJS-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine (CID 65384350) is 2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine is CC(C)CNC(C)(CN)Cc1ccccc1.
What is the InChIKey of 2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine?
The InChIKey is CALPCZMPGODOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)10-16-14(3,11-15)9-13-7-5-4-6-8-13/h4-8,12,16H,9-11,15H2,1-3H3.
What are the key properties of 2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine?
2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 65384350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).