2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride

C9H16Cl2N2 — CID 131637820

IUPAC2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
SMILESCC(C)(N)Cc1cccnc1.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-9(2,10)6-8-4-3-5-11-7-8;;/h3-5,7H,6,10H2,1-2H3;2*1H
InChIKeyLYCMMABUSYJTRF-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.20
Rot. Bonds2

About 2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride

2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride (PubChem CID 131637820) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
PubChem CID131637820
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
SMILESCC(C)(N)Cc1cccnc1.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-9(2,10)6-8-4-3-5-11-7-8;;/h3-5,7H,6,10H2,1-2H3;2*1H
InChIKeyLYCMMABUSYJTRF-UHFFFAOYSA-N
XLogP2.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine
CID 174709690
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
CID 66230417
2-methyl-1-pyridin-4-ylpropan-2-amine;hydrochloride
CID 141017506
1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
CID 104735827
2-(3-chlorophenyl)-1-pyridin-3-ylpropan-2-amine
CID 104735876
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
2-cyclopropyl-1-pyridin-3-ylpropan-2-ol
CID 104735640
3-ethylpyridine
CID 10823
1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol
CID 104735758
2-fluoro-3-methyl-2-(pyridin-3-ylmethyl)butan-1-amine
CID 104737459
3-(pyridin-3-ylmethyl)pyridine
CID 14762640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride?
The IUPAC name of 2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride (CID 131637820) is 2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride.
What is the SMILES notation for 2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride?
The canonical SMILES for 2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride is CC(C)(N)Cc1cccnc1.Cl.Cl.
What is the InChIKey of 2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride?
The InChIKey is LYCMMABUSYJTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2ClH/c1-9(2,10)6-8-4-3-5-11-7-8;;/h3-5,7H,6,10H2,1-2H3;2*1H.
What are the key properties of 2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride?
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride has a molecular weight of 223.15 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride is sourced from PubChem (CID 131637820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).