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

C12H24N2O — CID 79504568

IUPAC2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1=NCCCC1
InChIInChI=1S/C12H24N2O/c1-10(2)8-12(3,15)9-14-11-6-4-5-7-13-11/h10,15H,4-9H2,1-3H3,(H,13,14)
InChIKeyKIOIJBXJRXDZSF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.96
Rot. Bonds4

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

2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol (PubChem CID 79504568) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol
PubChem CID79504568
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1=NCCCC1
InChIInChI=1S/C12H24N2O/c1-10(2)8-12(3,15)9-14-11-6-4-5-7-13-11/h10,15H,4-9H2,1-3H3,(H,13,14)
InChIKeyKIOIJBXJRXDZSF-UHFFFAOYSA-N
XLogP1.96
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol (CID 79504568) is 2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol is CC(C)CC(C)(O)CNC1=NCCCC1.
What is the InChIKey of 2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol?
The InChIKey is KIOIJBXJRXDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)8-12(3,15)9-14-11-6-4-5-7-13-11/h10,15H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol?
2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol has a molecular weight of 212.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol is sourced from PubChem (CID 79504568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).