2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine

C12H22N2O — CID 116680260

IUPAC2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCC(CNCC1(C)CCCO1)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-10(11-7-13-8-11)6-14-9-12(2)4-3-5-15-12/h13-14H,3-9H2,1-2H3
InChIKeyHGYLZRJGLMLEDO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.06
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine

2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 116680260) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID116680260
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCC(CNCC1(C)CCCO1)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-10(11-7-13-8-11)6-14-9-12(2)4-3-5-15-12/h13-14H,3-9H2,1-2H3
InChIKeyHGYLZRJGLMLEDO-UHFFFAOYSA-N
XLogP1.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine
CID 116680427
N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclohexan-1-amine
CID 116679830
4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine
CID 115513806
2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol
CID 81419974
[1-[[(2-methyloxolan-2-yl)methylamino]methyl]cycloheptyl]methanamine
CID 115445038
2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide
CID 116678448
5-[[(2-methyloxolan-2-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529690
3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine
CID 112556025
trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol
CID 102731430
N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine
CID 116679936
(3R)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134961
(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134846

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine (CID 116680260) is 2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine is CC(CNCC1(C)CCCO1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is HGYLZRJGLMLEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(11-7-13-8-11)6-14-9-12(2)4-3-5-15-12/h13-14H,3-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine?
2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 116680260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).