1-methoxy-3-(oxolan-2-yl)propan-2-amine

C8H17NO2 — CID 62604472

IUPAC1-methoxy-3-(oxolan-2-yl)propan-2-amine
SMILESCOCC(N)CC1CCCO1
InChIInChI=1S/C8H17NO2/c1-10-6-7(9)5-8-3-2-4-11-8/h7-8H,2-6,9H2,1H3
InChIKeyUFJRRDNJMQJUOT-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.53
Rot. Bonds4

About 1-methoxy-3-(oxolan-2-yl)propan-2-amine

1-methoxy-3-(oxolan-2-yl)propan-2-amine (PubChem CID 62604472) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-methoxy-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(oxolan-2-yl)propan-2-amine
PubChem CID62604472
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-methoxy-3-(oxolan-2-yl)propan-2-amine
SMILESCOCC(N)CC1CCCO1
InChIInChI=1S/C8H17NO2/c1-10-6-7(9)5-8-3-2-4-11-8/h7-8H,2-6,9H2,1H3
InChIKeyUFJRRDNJMQJUOT-UHFFFAOYSA-N
XLogP0.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine
CID 107508896
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
1-cyclopropyl-3-(oxolan-2-yl)propan-2-amine
CID 64905481
5-methyl-1-(oxolan-2-yl)hexan-2-amine
CID 62599893
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
O-[1-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104758
5-(oxolan-2-yl)-1-propoxypentan-2-amine
CID 65164244
(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
CID 176655691
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
methyl 2-hydroxy-3-[(2R)-oxolan-2-yl]propanoate
CID 67130803
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1-methoxy-3-(oxolan-2-yl)propan-2-amine (CID 62604472) is 1-methoxy-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-methoxy-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-methoxy-3-(oxolan-2-yl)propan-2-amine is COCC(N)CC1CCCO1.
What is the InChIKey of 1-methoxy-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is UFJRRDNJMQJUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-10-6-7(9)5-8-3-2-4-11-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-methoxy-3-(oxolan-2-yl)propan-2-amine?
1-methoxy-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 159.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 62604472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).