(3R)-3-(oxan-3-ylamino)butan-1-ol

C9H19NO2 — CID 103871769

IUPAC(3R)-3-(oxan-3-ylamino)butan-1-ol
SMILESC[C@H](CCO)NC1CCCOC1
InChIInChI=1S/C9H19NO2/c1-8(4-5-11)10-9-3-2-6-12-7-9/h8-11H,2-7H2,1H3/t8-,9?/m1/s1
InChIKeyKEUWPKXCWOKCGS-VEDVMXKPSA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds4

About (3R)-3-(oxan-3-ylamino)butan-1-ol

(3R)-3-(oxan-3-ylamino)butan-1-ol (PubChem CID 103871769) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3R)-3-(oxan-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(oxan-3-ylamino)butan-1-ol
PubChem CID103871769
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3R)-3-(oxan-3-ylamino)butan-1-ol
SMILESC[C@H](CCO)NC1CCCOC1
InChIInChI=1S/C9H19NO2/c1-8(4-5-11)10-9-3-2-6-12-7-9/h8-11H,2-7H2,1H3/t8-,9?/m1/s1
InChIKeyKEUWPKXCWOKCGS-VEDVMXKPSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

3-(oxan-3-ylamino)pentan-1-ol
CID 115723074
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine
CID 115725520
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
N-methyl-3-(oxan-3-ylamino)butanamide
CID 115717949
N'-hydroxy-3-(oxan-3-ylamino)butanimidamide
CID 77028497
5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol
CID 115726077
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
(3S)-N-(1-cyclobutylethyl)oxan-3-amine
CID 130735135
4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
CID 103894941
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-(3,3-dimethylbutan-2-yl)oxan-3-amine
CID 115717971

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(oxan-3-ylamino)butan-1-ol?
The IUPAC name of (3R)-3-(oxan-3-ylamino)butan-1-ol (CID 103871769) is (3R)-3-(oxan-3-ylamino)butan-1-ol.
What is the SMILES notation for (3R)-3-(oxan-3-ylamino)butan-1-ol?
The canonical SMILES for (3R)-3-(oxan-3-ylamino)butan-1-ol is C[C@H](CCO)NC1CCCOC1.
What is the InChIKey of (3R)-3-(oxan-3-ylamino)butan-1-ol?
The InChIKey is KEUWPKXCWOKCGS-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(4-5-11)10-9-3-2-6-12-7-9/h8-11H,2-7H2,1H3/t8-,9?/m1/s1.
What are the key properties of (3R)-3-(oxan-3-ylamino)butan-1-ol?
(3R)-3-(oxan-3-ylamino)butan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(oxan-3-ylamino)butan-1-ol is sourced from PubChem (CID 103871769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).