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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Related Compounds

3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 22082039
(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 168912924
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59997534
(3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane
CID 161227566
(3S,3aR,6S,6aR)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 59170536
(3R,3aS,6R,6aS)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 59488082
(2S,3S)-2,3-dimethyloxetane
CID 76764483
6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane
CID 145421576
(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 131969290
(2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol
CID 163652103
2-[(3R,3aR,6aR)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol
CID 118424602
(3S,3aR,5R,7R,7aS)-3,7-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran
CID 101054701

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).