3-(oxolan-2-ylmethylamino)butan-1-ol

C9H19NO2 — CID 83177846

IUPAC3-(oxolan-2-ylmethylamino)butan-1-ol
SMILESCC(CCO)NCC1CCCO1
InChIInChI=1S/C9H19NO2/c1-8(4-5-11)10-7-9-3-2-6-12-9/h8-11H,2-7H2,1H3
InChIKeyPBTDUMAQUKNSAH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds5

About 3-(oxolan-2-ylmethylamino)butan-1-ol

3-(oxolan-2-ylmethylamino)butan-1-ol (PubChem CID 83177846) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylamino)butan-1-ol
PubChem CID83177846
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(oxolan-2-ylmethylamino)butan-1-ol
SMILESCC(CCO)NCC1CCCO1
InChIInChI=1S/C9H19NO2/c1-8(4-5-11)10-7-9-3-2-6-12-9/h8-11H,2-7H2,1H3
InChIKeyPBTDUMAQUKNSAH-UHFFFAOYSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
4,4-dimethyl-3-(oxolan-2-ylmethylamino)pentan-1-ol
CID 104628087
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83819615
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
CID 90119922
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 104980595

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylamino)butan-1-ol?
The IUPAC name of 3-(oxolan-2-ylmethylamino)butan-1-ol (CID 83177846) is 3-(oxolan-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 3-(oxolan-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 3-(oxolan-2-ylmethylamino)butan-1-ol is CC(CCO)NCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethylamino)butan-1-ol?
The InChIKey is PBTDUMAQUKNSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(4-5-11)10-7-9-3-2-6-12-9/h8-11H,2-7H2,1H3.
What are the key properties of 3-(oxolan-2-ylmethylamino)butan-1-ol?
3-(oxolan-2-ylmethylamino)butan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 83177846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).