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

C11H22N2O — CID 82754795

IUPAC1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
SMILESCC(CNC1CC1)N(C)C1CCOC1
InChIInChI=1S/C11H22N2O/c1-9(7-12-10-3-4-10)13(2)11-5-6-14-8-11/h9-12H,3-8H2,1-2H3
InChIKeyHXBCZRLCANSDKE-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds5

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

1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine (PubChem CID 82754795) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
PubChem CID82754795
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
SMILESCC(CNC1CC1)N(C)C1CCOC1
InChIInChI=1S/C11H22N2O/c1-9(7-12-10-3-4-10)13(2)11-5-6-14-8-11/h9-12H,3-8H2,1-2H3
InChIKeyHXBCZRLCANSDKE-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclopropyl-2-N-methyl-1-N-(oxolan-3-yl)propane-1,2-diamine
CID 115689098
1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82753910
2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290
2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 82753840
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
CID 62425020
3-N-methyl-3-N-(oxolan-3-yl)butane-1,3-diamine
CID 63556588
4-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748967
3-[methyl(oxolan-3-yl)amino]butanethioamide
CID 63557973
2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine
CID 114132443
3-N,2-dimethyl-3-N-(oxolan-3-yl)-1-N-propylbutane-1,3-diamine
CID 82754797
2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine
CID 104859774
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 1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine (CID 82754795) is 1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine is CC(CNC1CC1)N(C)C1CCOC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine?
The InChIKey is HXBCZRLCANSDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(7-12-10-3-4-10)13(2)11-5-6-14-8-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine?
1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 82754795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).