(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine

C10H13ClN2 — CID 130633063

IUPAC(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine
SMILESN[C@@H](c1ccncc1Cl)C1CCC1
InChIInChI=1S/C10H13ClN2/c11-9-6-13-5-4-8(9)10(12)7-2-1-3-7/h4-7,10H,1-3,12H2/t10-/m1/s1
InChIKeyNJGJOCWRZKZMAX-SNVBAGLBSA-N
MW196.68 g/mol
LogP2.53
Rot. Bonds2

About (R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine

(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine (PubChem CID 130633063) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is (R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine
PubChem CID130633063
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine
SMILESN[C@@H](c1ccncc1Cl)C1CCC1
InChIInChI=1S/C10H13ClN2/c11-9-6-13-5-4-8(9)10(12)7-2-1-3-7/h4-7,10H,1-3,12H2/t10-/m1/s1
InChIKeyNJGJOCWRZKZMAX-SNVBAGLBSA-N
XLogP2.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride
CID 171218361
(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239096
(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
CID 105147557
(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166254
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
(S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine
CID 131290746
(R)-(2-chloro-3-pyridinyl)-cyclobutylmethanamine
CID 131061254
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine
CID 131150469
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol
CID 107139487
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069

Frequently Asked Questions

What is the IUPAC name of (R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine?
The IUPAC name of (R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine (CID 130633063) is (R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine.
What is the SMILES notation for (R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine?
The canonical SMILES for (R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine is N[C@@H](c1ccncc1Cl)C1CCC1.
What is the InChIKey of (R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine?
The InChIKey is NJGJOCWRZKZMAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-9-6-13-5-4-8(9)10(12)7-2-1-3-7/h4-7,10H,1-3,12H2/t10-/m1/s1.
What are the key properties of (R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine?
(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine has a molecular weight of 196.68 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine is sourced from PubChem (CID 130633063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).