N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine

C13H26N2O — CID 116522896

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(CC1CCC(C)(C)O1)C1CNC1
InChIInChI=1S/C13H26N2O/c1-4-7-15(11-8-14-9-11)10-12-5-6-13(2,3)16-12/h11-12,14H,4-10H2,1-3H3
InChIKeyHONZSBCEBRVVEV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine (PubChem CID 116522896) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine
PubChem CID116522896
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(CC1CCC(C)(C)O1)C1CNC1
InChIInChI=1S/C13H26N2O/c1-4-7-15(11-8-14-9-11)10-12-5-6-13(2,3)16-12/h11-12,14H,4-10H2,1-3H3
InChIKeyHONZSBCEBRVVEV-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylpiperidin-4-amine
CID 116522849
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propylazetidin-3-amine
CID 102899443
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine
CID 116522873
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 102899394
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 116520960
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640288
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
CID 66363424
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 116522907
N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine
CID 66182229
4-N-[(5,5-dimethyloxolan-2-yl)methyl]-4-N-propylbenzene-1,4-diamine
CID 116522220
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
CID 116523456
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]pentan-3-amine
CID 116523973

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine (CID 116522896) is N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine is CCCN(CC1CCC(C)(C)O1)C1CNC1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine?
The InChIKey is HONZSBCEBRVVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-15(11-8-14-9-11)10-12-5-6-13(2,3)16-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 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-propylazetidin-3-amine is sourced from PubChem (CID 116522896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).