3-amino-4-(oxan-4-ylmethoxy)butan-1-ol

C10H21NO3 — CID 64897932

IUPAC3-amino-4-(oxan-4-ylmethoxy)butan-1-ol
SMILESNC(CCO)COCC1CCOCC1
InChIInChI=1S/C10H21NO3/c11-10(1-4-12)8-14-7-9-2-5-13-6-3-9/h9-10,12H,1-8,11H2
InChIKeyWCTYBHYDYRCBHP-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.14
Rot. Bonds6

About 3-amino-4-(oxan-4-ylmethoxy)butan-1-ol

3-amino-4-(oxan-4-ylmethoxy)butan-1-ol (PubChem CID 64897932) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-amino-4-(oxan-4-ylmethoxy)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-(oxan-4-ylmethoxy)butan-1-ol
PubChem CID64897932
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-amino-4-(oxan-4-ylmethoxy)butan-1-ol
SMILESNC(CCO)COCC1CCOCC1
InChIInChI=1S/C10H21NO3/c11-10(1-4-12)8-14-7-9-2-5-13-6-3-9/h9-10,12H,1-8,11H2
InChIKeyWCTYBHYDYRCBHP-UHFFFAOYSA-N
XLogP0.14
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(cyclopentylmethoxy)butan-1-ol
CID 66324519
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
2-amino-3-(oxan-4-ylmethoxy)propanamide
CID 62384328
4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol
CID 64900179
6-(oxan-4-ylmethoxy)hexan-2-amine
CID 62382428
1-(oxan-4-ylmethoxy)butan-2-ol
CID 62383429
3-amino-4-(oxan-4-ylsulfonyl)butan-1-ol
CID 64899314
2-amino-4-(oxan-4-ylmethoxy)butanenitrile
CID 63055278
3-amino-4-(oxan-4-ylsulfanyl)butan-1-ol
CID 64899880
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
4-(chloromethoxymethyl)oxane
CID 79530199
3-amino-4-(oxan-4-ylsulfinyl)butan-1-ol
CID 64929123

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(oxan-4-ylmethoxy)butan-1-ol?
The IUPAC name of 3-amino-4-(oxan-4-ylmethoxy)butan-1-ol (CID 64897932) is 3-amino-4-(oxan-4-ylmethoxy)butan-1-ol.
What is the SMILES notation for 3-amino-4-(oxan-4-ylmethoxy)butan-1-ol?
The canonical SMILES for 3-amino-4-(oxan-4-ylmethoxy)butan-1-ol is NC(CCO)COCC1CCOCC1.
What is the InChIKey of 3-amino-4-(oxan-4-ylmethoxy)butan-1-ol?
The InChIKey is WCTYBHYDYRCBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c11-10(1-4-12)8-14-7-9-2-5-13-6-3-9/h9-10,12H,1-8,11H2.
What are the key properties of 3-amino-4-(oxan-4-ylmethoxy)butan-1-ol?
3-amino-4-(oxan-4-ylmethoxy)butan-1-ol has a molecular weight of 203.28 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(oxan-4-ylmethoxy)butan-1-ol is sourced from PubChem (CID 64897932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).