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

C13H27NO3 — CID 64900179

IUPAC4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COCC1CCOCC1
InChIInChI=1S/C13H27NO3/c1-2-6-14-13(3-7-15)11-17-10-12-4-8-16-9-5-12/h12-15H,2-11H2,1H3
InChIKeyLBBXXVHNDVVHGE-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.18
Rot. Bonds9

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

4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol (PubChem CID 64900179) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol
PubChem CID64900179
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COCC1CCOCC1
InChIInChI=1S/C13H27NO3/c1-2-6-14-13(3-7-15)11-17-10-12-4-8-16-9-5-12/h12-15H,2-11H2,1H3
InChIKeyLBBXXVHNDVVHGE-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylmethoxy)-2-(propylamino)propan-1-ol
CID 64802807
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435
3-amino-4-(oxan-4-ylmethoxy)butan-1-ol
CID 64897932
1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine
CID 114192090
4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol
CID 64898660
1-(oxan-4-ylmethoxy)butan-2-ol
CID 62383429
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529
4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol
CID 79332997
1-methylsulfonyl-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55093714
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
N-[1-cyclopropyl-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 63908760
3-methoxy-1-N-methyl-1-N-(oxan-4-ylmethyl)-2-N-propylpropane-1,2-diamine
CID 107505775

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol (CID 64900179) is 4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol is CCCNC(CCO)COCC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol?
The InChIKey is LBBXXVHNDVVHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-2-6-14-13(3-7-15)11-17-10-12-4-8-16-9-5-12/h12-15H,2-11H2,1H3.
What are the key properties of 4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol?
4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol has a molecular weight of 245.36 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64900179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).