2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine

C12H24N2 — CID 104859774

IUPAC2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine
SMILESCC1CC(NCC(C)N(C)C2CC2)C1
InChIInChI=1S/C12H24N2/c1-9-6-11(7-9)13-8-10(2)14(3)12-4-5-12/h9-13H,4-8H2,1-3H3
InChIKeyPNMKCLDLIXKQJZ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds5

About 2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine

2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine (PubChem CID 104859774) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine
PubChem CID104859774
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine
SMILESCC1CC(NCC(C)N(C)C2CC2)C1
InChIInChI=1S/C12H24N2/c1-9-6-11(7-9)13-8-10(2)14(3)12-4-5-12/h9-13H,4-8H2,1-3H3
InChIKeyPNMKCLDLIXKQJZ-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 62567826
2-N-cyclopropyl-2-N-methyl-1-N-(oxolan-3-yl)propane-1,2-diamine
CID 115689098
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
CID 62425020
2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine
CID 114132443
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
2-N-cyclopropyl-2-N-methyl-1-N-(2-methyloxolan-3-yl)propane-1,2-diamine
CID 115751304
3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol
CID 103952016
ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate
CID 104879694
1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82754795
1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 64724628
1-N-(3,5-dimethylcyclohexyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 64724441
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 62546657

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine (CID 104859774) is 2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine is CC1CC(NCC(C)N(C)C2CC2)C1.
What is the InChIKey of 2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine?
The InChIKey is PNMKCLDLIXKQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9-6-11(7-9)13-8-10(2)14(3)12-4-5-12/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine?
2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine is sourced from PubChem (CID 104859774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).