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

C10H20N2O — CID 79504470

IUPAC3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
SMILESCC(CCO)CNC1=NCCCC1
InChIInChI=1S/C10H20N2O/c1-9(5-7-13)8-12-10-4-2-3-6-11-10/h9,13H,2-8H2,1H3,(H,11,12)
InChIKeyJNYHBUPQKNNPSW-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.18
Rot. Bonds4

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

3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol (PubChem CID 79504470) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
PubChem CID79504470
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
SMILESCC(CCO)CNC1=NCCCC1
InChIInChI=1S/C10H20N2O/c1-9(5-7-13)8-12-10-4-2-3-6-11-10/h9,13H,2-8H2,1H3,(H,11,12)
InChIKeyJNYHBUPQKNNPSW-UHFFFAOYSA-N
XLogP1.18
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
The IUPAC name of 3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol (CID 79504470) is 3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol is CC(CCO)CNC1=NCCCC1.
What is the InChIKey of 3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
The InChIKey is JNYHBUPQKNNPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(5-7-13)8-12-10-4-2-3-6-11-10/h9,13H,2-8H2,1H3,(H,11,12).
What are the key properties of 3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol is sourced from PubChem (CID 79504470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).