N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine

C9H17NO2 — CID 167237186

IUPACN,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine
SMILESCNC1C(C)OC1C1OCC1C
InChIInChI=1S/C9H17NO2/c1-5-4-11-8(5)9-7(10-3)6(2)12-9/h5-10H,4H2,1-3H3
InChIKeyVQVXQUMUJXALDT-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.40
Rot. Bonds2

About N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine

N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine (PubChem CID 167237186) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine
PubChem CID167237186
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine
SMILESCNC1C(C)OC1C1OCC1C
InChIInChI=1S/C9H17NO2/c1-5-4-11-8(5)9-7(10-3)6(2)12-9/h5-10H,4H2,1-3H3
InChIKeyVQVXQUMUJXALDT-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine?
The IUPAC name of N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine (CID 167237186) is N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine.
What is the SMILES notation for N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine?
The canonical SMILES for N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine is CNC1C(C)OC1C1OCC1C.
What is the InChIKey of N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine?
The InChIKey is VQVXQUMUJXALDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-4-11-8(5)9-7(10-3)6(2)12-9/h5-10H,4H2,1-3H3.
What are the key properties of N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine?
N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine has a molecular weight of 171.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine is sourced from PubChem (CID 167237186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).