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

C12H26N2O — CID 116520960

IUPACN'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)CC1CCC(C)(C)O1
InChIInChI=1S/C12H26N2O/c1-4-8-14(9-7-13)10-11-5-6-12(2,3)15-11/h11H,4-10,13H2,1-3H3
InChIKeyLOAWTRRPUSDUKZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds6

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

N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine (PubChem CID 116520960) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine
PubChem CID116520960
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)CC1CCC(C)(C)O1
InChIInChI=1S/C12H26N2O/c1-4-8-14(9-7-13)10-11-5-6-12(2,3)15-11/h11H,4-10,13H2,1-3H3
InChIKeyLOAWTRRPUSDUKZ-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 116520965
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
CID 116523456
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-N-methylpropane-1,2-diamine
CID 116524100
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 116520932
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine
CID 116522896
4-N-[(5,5-dimethyloxolan-2-yl)methyl]-4-N-propylbenzene-1,4-diamine
CID 116522220
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylpiperidin-4-amine
CID 116522849
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 116522907
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]pentan-3-amine
CID 116523973
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile
CID 116521807
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-1-ol
CID 116523454
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389

Frequently Asked Questions

What is the IUPAC name of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine (CID 116520960) is N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine is CCCN(CCN)CC1CCC(C)(C)O1.
What is the InChIKey of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine?
The InChIKey is LOAWTRRPUSDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-8-14(9-7-13)10-11-5-6-12(2,3)15-11/h11H,4-10,13H2,1-3H3.
What are the key properties of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine?
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 116520960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).