3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol

C10H18N2O — CID 126548786

IUPAC3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol
SMILESCC1=CC(C(C)C)=C(CN)C(O)N1
InChIInChI=1S/C10H18N2O/c1-6(2)8-4-7(3)12-10(13)9(8)5-11/h4,6,10,12-13H,5,11H2,1-3H3
InChIKeyUHMRWHMTHMFRKC-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.72
Rot. Bonds2

About 3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol

3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol (PubChem CID 126548786) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol
PubChem CID126548786
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol
SMILESCC1=CC(C(C)C)=C(CN)C(O)N1
InChIInChI=1S/C10H18N2O/c1-6(2)8-4-7(3)12-10(13)9(8)5-11/h4,6,10,12-13H,5,11H2,1-3H3
InChIKeyUHMRWHMTHMFRKC-UHFFFAOYSA-N
XLogP0.72
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol
CID 126763190
3-(Aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;hydrochloride
CID 174734768
3-(Aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol;dihydrochloride
CID 174775841
2-Hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
CID 58836841
Amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol
CID 70668155
(4-Amino-3,5-dimethylcyclohexa-1,5-dien-1-yl)-(propan-2-ylamino)methanol
CID 70892480
2-Hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile
CID 89052936
(3Z)-1-[(3-aminocyclohexa-2,4-dien-1-yl)amino]-2-methyl-5-(methylamino)hexa-3,5-dien-1-ol
CID 89073918
(6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol
CID 118861825
3-[[3,4-Di(ethylidene)cyclohexa-1,5-dien-1-yl]amino]propan-1-ol
CID 123686765
4-Ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile
CID 126763284
6-Propan-2-yl-1,2-dihydropyridin-2-ol
CID 132241962

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol?
The IUPAC name of 3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol (CID 126548786) is 3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol?
The canonical SMILES for 3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol is CC1=CC(C(C)C)=C(CN)C(O)N1.
What is the InChIKey of 3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol?
The InChIKey is UHMRWHMTHMFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6(2)8-4-7(3)12-10(13)9(8)5-11/h4,6,10,12-13H,5,11H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol?
3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol has a molecular weight of 182.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol is sourced from PubChem (CID 126548786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).