1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine

C10H21NO2 — CID 131101922

IUPAC1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine
SMILESCOC1COCCC1C(N)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)10(11)8-4-5-13-6-9(8)12-3/h7-10H,4-6,11H2,1-3H3
InChIKeyVHVNFWTVSILPMI-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.02
Rot. Bonds3

About 1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine

1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine (PubChem CID 131101922) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine
PubChem CID131101922
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine
SMILESCOC1COCCC1C(N)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)10(11)8-4-5-13-6-9(8)12-3/h7-10H,4-6,11H2,1-3H3
InChIKeyVHVNFWTVSILPMI-UHFFFAOYSA-N
XLogP1.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
CID 122235837
1-(3-methoxyoxan-4-yl)propan-1-ol
CID 130723846
4-chloro-3-methoxyoxane
CID 130632423
ethane;3-methoxy-4-methyloxane
CID 143656491
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
(3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol
CID 146570273
(3S,4S)-3,4-di(propan-2-yl)oxane
CID 121421969
CID 170573296
CID 170573296
3-methoxy-4-prop-1-en-2-yloxane
CID 163535676
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
2-amino-3-methyl-1-(oxolan-3-yl)butan-1-one
CID 116548922
3-(1-methoxy-2-methylpropyl)oxolane
CID 164918486

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine (CID 131101922) is 1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine is COC1COCCC1C(N)C(C)C.
What is the InChIKey of 1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine?
The InChIKey is VHVNFWTVSILPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)10(11)8-4-5-13-6-9(8)12-3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of 1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine?
1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 131101922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).