N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine

C12H24N2O — CID 66182229

IUPACN-(oxan-3-ylmethyl)-N-propylazetidin-3-amine
SMILESCCCN(CC1CCCOC1)C1CNC1
InChIInChI=1S/C12H24N2O/c1-2-5-14(12-7-13-8-12)9-11-4-3-6-15-10-11/h11-13H,2-10H2,1H3
InChIKeyRIWNVIXCIPVIQX-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds5

About N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine

N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine (PubChem CID 66182229) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-N-propylazetidin-3-amine
PubChem CID66182229
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(oxan-3-ylmethyl)-N-propylazetidin-3-amine
SMILESCCCN(CC1CCCOC1)C1CNC1
InChIInChI=1S/C12H24N2O/c1-2-5-14(12-7-13-8-12)9-11-4-3-6-15-10-11/h11-13H,2-10H2,1H3
InChIKeyRIWNVIXCIPVIQX-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-3-ylmethyl)-N-propylpiperidin-3-amine
CID 63638803
N-(oxolan-3-ylmethyl)-N-propylpiperidin-4-amine
CID 61312064
N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 163259274
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-(cycloheptylmethyl)-N-ethylazetidin-3-amine
CID 66181850
N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 163258033
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667389
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propylazetidin-3-amine
CID 102899443
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine
CID 116522896
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
N-[(E)-but-2-enyl]-N-propyloxan-3-amine
CID 143294392

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine?
The IUPAC name of N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine (CID 66182229) is N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine is CCCN(CC1CCCOC1)C1CNC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine?
The InChIKey is RIWNVIXCIPVIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-5-14(12-7-13-8-12)9-11-4-3-6-15-10-11/h11-13H,2-10H2,1H3.
What are the key properties of N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine?
N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine is sourced from PubChem (CID 66182229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).