3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol

C9H18N2O — CID 83177293

IUPAC3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
SMILESCC(CCO)NC1=NCCCC1
InChIInChI=1S/C9H18N2O/c1-8(5-7-12)11-9-4-2-3-6-10-9/h8,12H,2-7H2,1H3,(H,10,11)
InChIKeyWAHDZQZSSDQWPJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.93
Rot. Bonds3

About 3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol

3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol (PubChem CID 83177293) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
PubChem CID83177293
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
SMILESCC(CCO)NC1=NCCCC1
InChIInChI=1S/C9H18N2O/c1-8(5-7-12)11-9-4-2-3-6-10-9/h8,12H,2-7H2,1H3,(H,10,11)
InChIKeyWAHDZQZSSDQWPJ-UHFFFAOYSA-N
XLogP0.93
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3,4,5-Tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide
CID 18428524
3-(2,3,4,5-Tetrahydropyridin-6-ylamino)propan-1-ol
CID 18428525
2-(5-decyl-4,5-dihydro-1H-imidazol-2-yl)ethanol
CID 18799084
N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 20729987
2-(4-Hydroxybutyl)-1,3-diazacyclohex-1-ene
CID 22116520
2-(2-Ethoxyethyl)-6-ethyl-1,4,5,6-tetrahydropyrimidine
CID 53733079
1-Amino-3-(2-iminopiperidin-1-yl)butan-1-ol
CID 57189882
2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 66718048
2-(5-octyl-4,5-dihydro-1H-imidazol-2-yl)ethanol
CID 67982997
2-(2-octyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 69120612
N-(2-hydroxyethyl)-N'-methylpentanimidamide
CID 90250612
2-(2-heptyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 123746276

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
The IUPAC name of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol (CID 83177293) is 3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol.
What is the SMILES notation for 3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
The canonical SMILES for 3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol is CC(CCO)NC1=NCCCC1.
What is the InChIKey of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
The InChIKey is WAHDZQZSSDQWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(5-7-12)11-9-4-2-3-6-10-9/h8,12H,2-7H2,1H3,(H,10,11).
What are the key properties of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol has a molecular weight of 170.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol is sourced from PubChem (CID 83177293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).