1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine

C10H21NO2 — CID 62386572

IUPAC1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine
SMILESCOCC(C)NCC1CCOCC1
InChIInChI=1S/C10H21NO2/c1-9(8-12-2)11-7-10-3-5-13-6-4-10/h9-11H,3-8H2,1-2H3
InChIKeyDNNZFCOIWQHKGG-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.04
Rot. Bonds5

About 1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine

1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine (PubChem CID 62386572) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine
PubChem CID62386572
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine
SMILESCOCC(C)NCC1CCOCC1
InChIInChI=1S/C10H21NO2/c1-9(8-12-2)11-7-10-3-5-13-6-4-10/h9-11H,3-8H2,1-2H3
InChIKeyDNNZFCOIWQHKGG-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-ylmethyl)pent-4-en-2-amine
CID 115685663
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine
CID 62535870
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
1-methoxy-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 82833761
1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63930500
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
CID 116521074
1-methoxy-N-[(2-methylcyclopropyl)methyl]propan-2-amine
CID 115713098
(2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol
CID 94422130
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 63711162

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine (CID 62386572) is 1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine is COCC(C)NCC1CCOCC1.
What is the InChIKey of 1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine?
The InChIKey is DNNZFCOIWQHKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(8-12-2)11-7-10-3-5-13-6-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine?
1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine has a molecular weight of 187.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 62386572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).