(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride

C9H16Cl2N2 — CID 86767543

IUPAC(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
SMILESCC(C)[C@@H](N)c1ccccn1.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-7(2)9(10)8-5-3-4-6-11-8;;/h3-7,9H,10H2,1-2H3;2*1H/t9-;;/m1../s1
InChIKeyWQMCWVFMBPRHJX-KLQYNRQASA-N
MW223.15 g/mol
LogP2.58
Rot. Bonds2

About (1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride

(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride (PubChem CID 86767543) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is (1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
PubChem CID86767543
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
SMILESCC(C)[C@@H](N)c1ccccn1.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-7(2)9(10)8-5-3-4-6-11-8;;/h3-7,9H,10H2,1-2H3;2*1H/t9-;;/m1../s1
InChIKeyWQMCWVFMBPRHJX-KLQYNRQASA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine
CID 107748726
2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine
CID 15893453
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
pyridine;1-pyridin-2-ylethanamine
CID 159737903
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride?
The IUPAC name of (1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride (CID 86767543) is (1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for (1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for (1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride is CC(C)[C@@H](N)c1ccccn1.Cl.Cl.
What is the InChIKey of (1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride?
The InChIKey is WQMCWVFMBPRHJX-KLQYNRQASA-N. The full InChI is InChI=1S/C9H14N2.2ClH/c1-7(2)9(10)8-5-3-4-6-11-8;;/h3-7,9H,10H2,1-2H3;2*1H/t9-;;/m1../s1.
What are the key properties of (1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride?
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride has a molecular weight of 223.15 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 86767543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).