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

C9H18N2O — CID 79503813

IUPAC4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol
SMILESCC(O)CCNC1=NCCCC1
InChIInChI=1S/C9H18N2O/c1-8(12)5-7-11-9-4-2-3-6-10-9/h8,12H,2-7H2,1H3,(H,10,11)
InChIKeySEZSXHWYDHNGDC-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.93
Rot. Bonds3

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

4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol (PubChem CID 79503813) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol.

Molecular Properties

Compound Name4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol
PubChem CID79503813
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol
SMILESCC(O)CCNC1=NCCCC1
InChIInChI=1S/C9H18N2O/c1-8(12)5-7-11-9-4-2-3-6-10-9/h8,12H,2-7H2,1H3,(H,10,11)
InChIKeySEZSXHWYDHNGDC-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

Analyze 4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol?
The IUPAC name of 4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol (CID 79503813) is 4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol.
What is the SMILES notation for 4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol?
The canonical SMILES for 4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol is CC(O)CCNC1=NCCCC1.
What is the InChIKey of 4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol?
The InChIKey is SEZSXHWYDHNGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(12)5-7-11-9-4-2-3-6-10-9/h8,12H,2-7H2,1H3,(H,10,11).
What are the key properties of 4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol?
4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-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 4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol is sourced from PubChem (CID 79503813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).