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

C9H18N2O — CID 79503344

IUPAC2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol
SMILESCC(C)(O)CNC1=NCCCC1
InChIInChI=1S/C9H18N2O/c1-9(2,12)7-11-8-5-3-4-6-10-8/h12H,3-7H2,1-2H3,(H,10,11)
InChIKeyLNTSFSCFLJCDEP-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.93
Rot. Bonds2

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

2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol (PubChem CID 79503344) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol
PubChem CID79503344
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol
SMILESCC(C)(O)CNC1=NCCCC1
InChIInChI=1S/C9H18N2O/c1-9(2,12)7-11-8-5-3-4-6-10-8/h12H,3-7H2,1-2H3,(H,10,11)
InChIKeyLNTSFSCFLJCDEP-UHFFFAOYSA-N
XLogP0.93
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

CID 90250612
CID 90250612
CID 118519212
CID 118519212
CID 143009555
CID 143009555
CID 77056296
CID 77056296
CID 79503244
CID 79503244
CID 79503343
CID 79503343
CID 79503351
CID 79503351
CID 79503438
CID 79503438
CID 79503439
CID 79503439
CID 79503532
CID 79503532
CID 79503533
CID 79503533
CID 79503624
CID 79503624

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol (CID 79503344) is 2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol is CC(C)(O)CNC1=NCCCC1.
What is the InChIKey of 2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol?
The InChIKey is LNTSFSCFLJCDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,12)7-11-8-5-3-4-6-10-8/h12H,3-7H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol?
2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol has a molecular weight of 170.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol is sourced from PubChem (CID 79503344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).