(S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine

C11H14Cl2N2 — CID 131290746

IUPAC(S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine
SMILESN[C@H](c1c(Cl)cncc1Cl)C1CCCC1
InChIInChI=1S/C11H14Cl2N2/c12-8-5-15-6-9(13)10(8)11(14)7-3-1-2-4-7/h5-7,11H,1-4,14H2/t11-/m0/s1
InChIKeyJABNBKGMNVITPZ-NSHDSACASA-N
MW245.15 g/mol
LogP3.58
Rot. Bonds2

About (S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine

(S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine (PubChem CID 131290746) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is (S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine
PubChem CID131290746
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name(S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine
SMILESN[C@H](c1c(Cl)cncc1Cl)C1CCCC1
InChIInChI=1S/C11H14Cl2N2/c12-8-5-15-6-9(13)10(8)11(14)7-3-1-2-4-7/h5-7,11H,1-4,14H2/t11-/m0/s1
InChIKeyJABNBKGMNVITPZ-NSHDSACASA-N
XLogP3.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
CID 130683085
(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride
CID 171218361
(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine
CID 130917410
(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine
CID 130633063
(S)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171235278
(R)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171215645
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
CID 131484031
(S)-cyclobutyl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
CID 171232393
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171227177
1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine
CID 171277386

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine?
The IUPAC name of (S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine (CID 131290746) is (S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine.
What is the SMILES notation for (S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine?
The canonical SMILES for (S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine is N[C@H](c1c(Cl)cncc1Cl)C1CCCC1.
What is the InChIKey of (S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine?
The InChIKey is JABNBKGMNVITPZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H14Cl2N2/c12-8-5-15-6-9(13)10(8)11(14)7-3-1-2-4-7/h5-7,11H,1-4,14H2/t11-/m0/s1.
What are the key properties of (S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine?
(S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine has a molecular weight of 245.15 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine is sourced from PubChem (CID 131290746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).