3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride

C10H16ClN3 — CID 171211338

IUPAC3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride
SMILESC=C(C)C[C@@H](N)c1cccnc1N.Cl
InChIInChI=1S/C10H15N3.ClH/c1-7(2)6-9(11)8-4-3-5-13-10(8)12;/h3-5,9H,1,6,11H2,2H3,(H2,12,13);1H/t9-;/m1./s1
InChIKeyCAQDODDOVJHYGB-SBSPUUFOSA-N
MW213.71 g/mol
LogP2.05
Rot. Bonds3

About 3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride

3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride (PubChem CID 171211338) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride
PubChem CID171211338
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride
SMILESC=C(C)C[C@@H](N)c1cccnc1N.Cl
InChIInChI=1S/C10H15N3.ClH/c1-7(2)6-9(11)8-4-3-5-13-10(8)12;/h3-5,9H,1,6,11H2,2H3,(H2,12,13);1H/t9-;/m1./s1
InChIKeyCAQDODDOVJHYGB-SBSPUUFOSA-N
XLogP2.05
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.05
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

(1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine
CID 130869347
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
methyl (3S)-3-amino-3-(2-amino-3-pyridinyl)propanoate;hydrochloride
CID 171243481
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
3-methyl-1-pyrimidin-2-ylbut-3-en-1-amine
CID 79178492
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 79093187
(1S)-1-(2-bromophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171217579
(1S)-1-(2-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171220001
(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
CID 171230946
1-(3-ethyl-2-pyridinyl)-3-methylbut-3-en-1-amine
CID 82730508
(1S)-1-(3-fluoro-2-methylphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171223401

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride?
The IUPAC name of 3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride (CID 171211338) is 3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride is C=C(C)C[C@@H](N)c1cccnc1N.Cl.
What is the InChIKey of 3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride?
The InChIKey is CAQDODDOVJHYGB-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H15N3.ClH/c1-7(2)6-9(11)8-4-3-5-13-10(8)12;/h3-5,9H,1,6,11H2,2H3,(H2,12,13);1H/t9-;/m1./s1.
What are the key properties of 3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride?
3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 171211338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).