(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride

C10H17ClN2 — CID 171200287

IUPAC(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1ccncc1.Cl
InChIInChI=1S/C10H16N2.ClH/c1-3-8(2)10(11)9-4-6-12-7-5-9;/h4-8,10H,3,11H2,1-2H3;1H/t8?,10-;/m1./s1
InChIKeyGKVHHVGMJHRXOH-JDXSOMNQSA-N
MW200.71 g/mol
LogP2.55
Rot. Bonds3

About (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride

(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride (PubChem CID 171200287) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
PubChem CID171200287
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1ccncc1.Cl
InChIInChI=1S/C10H16N2.ClH/c1-3-8(2)10(11)9-4-6-12-7-5-9;/h4-8,10H,3,11H2,1-2H3;1H/t8?,10-;/m1./s1
InChIKeyGKVHHVGMJHRXOH-JDXSOMNQSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 63719075
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
(1R)-2-methyl-1-(4-methylsulfanylphenyl)butan-1-amine;hydrochloride
CID 171212740
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride
CID 171231952
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride (CID 171200287) is (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride is CCC(C)[C@@H](N)c1ccncc1.Cl.
What is the InChIKey of (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride?
The InChIKey is GKVHHVGMJHRXOH-JDXSOMNQSA-N. The full InChI is InChI=1S/C10H16N2.ClH/c1-3-8(2)10(11)9-4-6-12-7-5-9;/h4-8,10H,3,11H2,1-2H3;1H/t8?,10-;/m1./s1.
What are the key properties of (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride?
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride has a molecular weight of 200.71 g/mol, XLogP of 2.55, 3 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-4-ylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171200287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).