1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine

C9H18N2O — CID 89193717

IUPAC1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine
SMILESC=C(OC(C)(C)C)N1CC(N)C1
InChIInChI=1S/C9H18N2O/c1-7(12-9(2,3)4)11-5-8(10)6-11/h8H,1,5-6,10H2,2-4H3
InChIKeyUSHXHADILQJMDF-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.92
Rot. Bonds2

About 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine

1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine (PubChem CID 89193717) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine
PubChem CID89193717
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine
SMILESC=C(OC(C)(C)C)N1CC(N)C1
InChIInChI=1S/C9H18N2O/c1-7(12-9(2,3)4)11-5-8(10)6-11/h8H,1,5-6,10H2,2-4H3
InChIKeyUSHXHADILQJMDF-UHFFFAOYSA-N
XLogP0.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate
CID 121322050
3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine
CID 89257050
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 3-amino-5-hydroxypiperidine-1-carboxylate
CID 83680140
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310
tert-butyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate
CID 118796258
tert-butyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate
CID 124510092
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine
CID 145427336
tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate
CID 155890892
tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
CID 45072283
tert-butyl 3-[(3-amino-1-bicyclo[1.1.1]pentanyl)methyl]azetidine-1-carboxylate
CID 165466796

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine (CID 89193717) is 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine is C=C(OC(C)(C)C)N1CC(N)C1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine?
The InChIKey is USHXHADILQJMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(12-9(2,3)4)11-5-8(10)6-11/h8H,1,5-6,10H2,2-4H3.
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine?
1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine has a molecular weight of 170.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine is sourced from PubChem (CID 89193717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).