1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine

C13H20N2 — CID 62489695

IUPAC1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine
SMILESCN(CC(C)(N)c1ccccc1)C1CC1
InChIInChI=1S/C13H20N2/c1-13(14,10-15(2)12-8-9-12)11-6-4-3-5-7-11/h3-7,12H,8-10,14H2,1-2H3
InChIKeyCKFMKFFSHMDRIJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.95
Rot. Bonds4

About 1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine

1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine (PubChem CID 62489695) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine
PubChem CID62489695
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine
SMILESCN(CC(C)(N)c1ccccc1)C1CC1
InChIInChI=1S/C13H20N2/c1-13(14,10-15(2)12-8-9-12)11-6-4-3-5-7-11/h3-7,12H,8-10,14H2,1-2H3
InChIKeyCKFMKFFSHMDRIJ-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447
3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
CID 62278279
N-cyclopropyl-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62262364
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine
CID 79319905
1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine
CID 62487909
1-N-[2-(dimethylamino)ethyl]-2-phenyl-1-N-propylpropane-1,2-diamine
CID 62487058
1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine
CID 43829720
2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
CID 116692337
1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-phenylpropane-1,2-diamine
CID 102994341
1-N-ethyl-1-N-(oxolan-2-ylmethyl)-2-phenylpropane-1,2-diamine
CID 62487227
1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine
CID 62487396
1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropane-1,2-diamine
CID 112660985

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine (CID 62489695) is 1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine is CN(CC(C)(N)c1ccccc1)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine?
The InChIKey is CKFMKFFSHMDRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(14,10-15(2)12-8-9-12)11-6-4-3-5-7-11/h3-7,12H,8-10,14H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine?
1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 62489695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).