3-(oxan-3-ylamino)pentan-1-ol

C10H21NO2 — CID 115723074

IUPAC3-(oxan-3-ylamino)pentan-1-ol
SMILESCCC(CCO)NC1CCCOC1
InChIInChI=1S/C10H21NO2/c1-2-9(5-6-12)11-10-4-3-7-13-8-10/h9-12H,2-8H2,1H3
InChIKeyKEVAMRJUDAZMDZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.92
Rot. Bonds5

About 3-(oxan-3-ylamino)pentan-1-ol

3-(oxan-3-ylamino)pentan-1-ol (PubChem CID 115723074) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(oxan-3-ylamino)pentan-1-ol.

Molecular Properties

Compound Name3-(oxan-3-ylamino)pentan-1-ol
PubChem CID115723074
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(oxan-3-ylamino)pentan-1-ol
SMILESCCC(CCO)NC1CCCOC1
InChIInChI=1S/C10H21NO2/c1-2-9(5-6-12)11-10-4-3-7-13-8-10/h9-12H,2-8H2,1H3
InChIKeyKEVAMRJUDAZMDZ-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(oxan-3-ylamino)butan-1-ol
CID 103871769
3-(cyclopropylamino)pentan-1-ol
CID 83815190
(2R)-2-(oxolan-3-ylamino)butan-1-ol
CID 103922432
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
2-[1-(oxan-3-ylamino)propyl]phenol
CID 63359773
3-(ethylamino)-3-(oxan-3-yl)propan-1-ol
CID 65239845
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol
CID 115723043
5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol
CID 115726077
3-(oxan-3-ylamino)-3-thiophen-2-ylpropan-1-ol
CID 115723170
N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine
CID 115725520
N-(1-hydroxypentan-3-yl)oxolane-3-carboxamide
CID 115735205
(3S)-N-(1-cyclobutylethyl)oxan-3-amine
CID 130735135

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylamino)pentan-1-ol?
The IUPAC name of 3-(oxan-3-ylamino)pentan-1-ol (CID 115723074) is 3-(oxan-3-ylamino)pentan-1-ol.
What is the SMILES notation for 3-(oxan-3-ylamino)pentan-1-ol?
The canonical SMILES for 3-(oxan-3-ylamino)pentan-1-ol is CCC(CCO)NC1CCCOC1.
What is the InChIKey of 3-(oxan-3-ylamino)pentan-1-ol?
The InChIKey is KEVAMRJUDAZMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-9(5-6-12)11-10-4-3-7-13-8-10/h9-12H,2-8H2,1H3.
What are the key properties of 3-(oxan-3-ylamino)pentan-1-ol?
3-(oxan-3-ylamino)pentan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylamino)pentan-1-ol is sourced from PubChem (CID 115723074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).