2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine

C13H26N2O2 — CID 114132443

IUPAC2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1COC(C)(C)OC1)N(C)C1CC1
InChIInChI=1S/C13H26N2O2/c1-10(15(4)12-5-6-12)7-14-11-8-16-13(2,3)17-9-11/h10-12,14H,5-9H2,1-4H3
InChIKeyDFGNBYUBROPLRT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.21
Rot. Bonds5

About 2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine

2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 114132443) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine
PubChem CID114132443
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1COC(C)(C)OC1)N(C)C1CC1
InChIInChI=1S/C13H26N2O2/c1-10(15(4)12-5-6-12)7-14-11-8-16-13(2,3)17-9-11/h10-12,14H,5-9H2,1-4H3
InChIKeyDFGNBYUBROPLRT-UHFFFAOYSA-N
XLogP1.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine with MolForge

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Related Compounds

2-N-cyclopropyl-2-N-methyl-1-N-(oxolan-3-yl)propane-1,2-diamine
CID 115689098
2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine
CID 104859774
N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658931
1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol
CID 106659034
1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82754795
1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 62567826
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
CID 62425020
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol
CID 103952016
2-N-cyclopropyl-2-N-methyl-1-N-(2-methyloxolan-3-yl)propane-1,2-diamine
CID 115751304
2,2-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxan-5-amine
CID 106658667
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106658058

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine (CID 114132443) is 2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine is CC(CNC1COC(C)(C)OC1)N(C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is DFGNBYUBROPLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(15(4)12-5-6-12)7-14-11-8-16-13(2,3)17-9-11/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine?
2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 242.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 114132443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).