1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol

C9H18N2O — CID 114460118

IUPAC1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
SMILESCC1=CCN(CC(O)CN)CC1
InChIInChI=1S/C9H18N2O/c1-8-2-4-11(5-3-8)7-9(12)6-10/h2,9,12H,3-7,10H2,1H3
InChIKeyCGUWZTOWMMWYEM-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.04
Rot. Bonds3

About 1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol

1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol (PubChem CID 114460118) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
PubChem CID114460118
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
SMILESCC1=CCN(CC(O)CN)CC1
InChIInChI=1S/C9H18N2O/c1-8-2-4-11(5-3-8)7-9(12)6-10/h2,9,12H,3-7,10H2,1H3
InChIKeyCGUWZTOWMMWYEM-UHFFFAOYSA-N
XLogP-0.04
TPSA49.49 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 ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 114462451
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410731
4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine
CID 114410768
2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
CID 114413331
1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol
CID 139297407
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
CID 15102
N-[2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114413272
4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine
CID 126993800
(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
CID 131048167
1-amino-3-(azonan-1-yl)propan-2-ol
CID 127001298
1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 82297180
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine
CID 114410885

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol (CID 114460118) is 1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol is CC1=CCN(CC(O)CN)CC1.
What is the InChIKey of 1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol?
The InChIKey is CGUWZTOWMMWYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-2-4-11(5-3-8)7-9(12)6-10/h2,9,12H,3-7,10H2,1H3.
What are the key properties of 1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol?
1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol has a molecular weight of 170.26 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol is sourced from PubChem (CID 114460118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).