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

C9H19NO2 — CID 63363797

IUPAC4-(oxan-3-ylamino)butan-1-ol
SMILESOCCCCNC1CCCOC1
InChIInChI=1S/C9H19NO2/c11-6-2-1-5-10-9-4-3-7-12-8-9/h9-11H,1-8H2
InChIKeyKTTRFWQYRHKDGT-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds5

About 4-(oxan-3-ylamino)butan-1-ol

4-(oxan-3-ylamino)butan-1-ol (PubChem CID 63363797) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(oxan-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(oxan-3-ylamino)butan-1-ol
PubChem CID63363797
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(oxan-3-ylamino)butan-1-ol
SMILESOCCCCNC1CCCOC1
InChIInChI=1S/C9H19NO2/c11-6-2-1-5-10-9-4-3-7-12-8-9/h9-11H,1-8H2
InChIKeyKTTRFWQYRHKDGT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(oxepan-4-ylamino)butan-1-ol
CID 106841051
3-(oxepan-4-ylamino)propan-1-ol
CID 65076618
N-(5-methylsulfanylpentyl)oxan-3-amine
CID 104926386
3-(oxan-3-ylamino)propanoic acid
CID 63363556
N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide
CID 115715071
N-(4-iodobutyl)oxolan-3-amine
CID 106844615
N-[3-(2-methylpropylsulfanyl)propyl]oxan-3-amine
CID 115896613
N-methyl-N'-(oxan-3-yl)methanediamine
CID 139447312
N-(2-ethoxyethyl)oxan-3-amine
CID 63363906
ethyl 3-(oxan-3-ylamino)propanoate
CID 63363910
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
N'-(oxolan-3-yl)propane-1,3-diamine
CID 63335365

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-3-ylamino)butan-1-ol?
The IUPAC name of 4-(oxan-3-ylamino)butan-1-ol (CID 63363797) is 4-(oxan-3-ylamino)butan-1-ol.
What is the SMILES notation for 4-(oxan-3-ylamino)butan-1-ol?
The canonical SMILES for 4-(oxan-3-ylamino)butan-1-ol is OCCCCNC1CCCOC1.
What is the InChIKey of 4-(oxan-3-ylamino)butan-1-ol?
The InChIKey is KTTRFWQYRHKDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c11-6-2-1-5-10-9-4-3-7-12-8-9/h9-11H,1-8H2.
What are the key properties of 4-(oxan-3-ylamino)butan-1-ol?
4-(oxan-3-ylamino)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 4-(oxan-3-ylamino)butan-1-ol is sourced from PubChem (CID 63363797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).