3-(oxan-4-ylmethoxy)butan-2-amine

C10H21NO2 — CID 62382238

IUPAC3-(oxan-4-ylmethoxy)butan-2-amine
SMILESCC(N)C(C)OCC1CCOCC1
InChIInChI=1S/C10H21NO2/c1-8(11)9(2)13-7-10-3-5-12-6-4-10/h8-10H,3-7,11H2,1-2H3
InChIKeyXKCXUBGMIZKDNN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.17
Rot. Bonds4

About 3-(oxan-4-ylmethoxy)butan-2-amine

3-(oxan-4-ylmethoxy)butan-2-amine (PubChem CID 62382238) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(oxan-4-ylmethoxy)butan-2-amine.

Molecular Properties

Compound Name3-(oxan-4-ylmethoxy)butan-2-amine
PubChem CID62382238
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(oxan-4-ylmethoxy)butan-2-amine
SMILESCC(N)C(C)OCC1CCOCC1
InChIInChI=1S/C10H21NO2/c1-8(11)9(2)13-7-10-3-5-12-6-4-10/h8-10H,3-7,11H2,1-2H3
InChIKeyXKCXUBGMIZKDNN-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine
CID 62382952
2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine
CID 62382577
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
CID 62383931
2-(oxan-4-ylmethoxy)propanimidamide
CID 62383007
1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 62382399
1-(oxan-4-yl)propan-2-amine
CID 21054632
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
6-(oxan-4-ylmethoxy)hexan-2-amine
CID 62382428
2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol
CID 64811806
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
CID 78989415

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethoxy)butan-2-amine?
The IUPAC name of 3-(oxan-4-ylmethoxy)butan-2-amine (CID 62382238) is 3-(oxan-4-ylmethoxy)butan-2-amine.
What is the SMILES notation for 3-(oxan-4-ylmethoxy)butan-2-amine?
The canonical SMILES for 3-(oxan-4-ylmethoxy)butan-2-amine is CC(N)C(C)OCC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethoxy)butan-2-amine?
The InChIKey is XKCXUBGMIZKDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(11)9(2)13-7-10-3-5-12-6-4-10/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 3-(oxan-4-ylmethoxy)butan-2-amine?
3-(oxan-4-ylmethoxy)butan-2-amine has a molecular weight of 187.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethoxy)butan-2-amine is sourced from PubChem (CID 62382238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).