N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine

C13H26N2O — CID 116522137

IUPACN-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)CC1CCC(C)(C)O1
InChIInChI=1S/C13H26N2O/c1-13(2)7-6-12(16-13)10-15(3)9-8-14-11-4-5-11/h11-12,14H,4-10H2,1-3H3
InChIKeyAQEQZEBZLWTDRW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds6

About N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine

N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 116522137) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID116522137
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)CC1CCC(C)(C)O1
InChIInChI=1S/C13H26N2O/c1-13(2)7-6-12(16-13)10-15(3)9-8-14-11-4-5-11/h11-12,14H,4-10H2,1-3H3
InChIKeyAQEQZEBZLWTDRW-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N'-[(2,2-dimethylcyclopropyl)methyl]-N'-methylethane-1,2-diamine
CID 107001497
4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid
CID 116522700
1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol
CID 116523432
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102898474
N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63501893
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
CID 116521230
N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63707526
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 116523643
N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine
CID 116523829
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-1-ol
CID 116523454
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-N-methylpropane-1,2-diamine
CID 116524100

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine (CID 116522137) is N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine is CN(CCNC1CC1)CC1CCC(C)(C)O1.
What is the InChIKey of N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is AQEQZEBZLWTDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)7-6-12(16-13)10-15(3)9-8-14-11-4-5-11/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine?
N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 116522137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).