2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol

C11H18N2O — CID 65036147

IUPAC2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
SMILESCC(CO)CNCCc1ccccn1
InChIInChI=1S/C11H18N2O/c1-10(9-14)8-12-7-5-11-4-2-3-6-13-11/h2-4,6,10,12,14H,5,7-9H2,1H3
InChIKeyKFMHZNKHZJWAAU-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.84
Rot. Bonds6

About 2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol

2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol (PubChem CID 65036147) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
PubChem CID65036147
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
SMILESCC(CO)CNCCc1ccccn1
InChIInChI=1S/C11H18N2O/c1-10(9-14)8-12-7-5-11-4-2-3-6-13-11/h2-4,6,10,12,14H,5,7-9H2,1H3
InChIKeyKFMHZNKHZJWAAU-UHFFFAOYSA-N
XLogP0.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
N-(3-hydroxy-2-methylpropyl)-2-pyridin-2-ylacetamide
CID 65037494
2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 115255161
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
2-N-cyclopropyl-2-N-methyl-1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 114133382
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 101479636
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
CID 115123641
methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate
CID 103233877

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol (CID 65036147) is 2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol is CC(CO)CNCCc1ccccn1.
What is the InChIKey of 2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol?
The InChIKey is KFMHZNKHZJWAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(9-14)8-12-7-5-11-4-2-3-6-13-11/h2-4,6,10,12,14H,5,7-9H2,1H3.
What are the key properties of 2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol?
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol is sourced from PubChem (CID 65036147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).