2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine

C11H18N2 — CID 3415764

IUPAC2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine
SMILESCN(C)C(CN)Cc1ccccc1
InChIInChI=1S/C11H18N2/c1-13(2)11(9-12)8-10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3
InChIKeyUNKNAPRNXOMOJQ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.12
Rot. Bonds4

About 2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine

2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine (PubChem CID 3415764) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine
PubChem CID3415764
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine
SMILESCN(C)C(CN)Cc1ccccc1
InChIInChI=1S/C11H18N2/c1-13(2)11(9-12)8-10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3
InChIKeyUNKNAPRNXOMOJQ-UHFFFAOYSA-N
XLogP1.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine (CID 3415764) is 2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine is CN(C)C(CN)Cc1ccccc1.
What is the InChIKey of 2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine?
The InChIKey is UNKNAPRNXOMOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13(2)11(9-12)8-10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3.
What are the key properties of 2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine?
2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 3415764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).