(R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride

C12H21ClN2 — CID 171212592

IUPAC(R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride
SMILESCl.Cn1cccc1[C@H](N)C1CCCCC1
InChIInChI=1S/C12H20N2.ClH/c1-14-9-5-8-11(14)12(13)10-6-3-2-4-7-10;/h5,8-10,12H,2-4,6-7,13H2,1H3;1H/t12-;/m1./s1
InChIKeyTZBKOILFQBRVGU-UTONKHPSSA-N
MW228.77 g/mol
LogP3.03
Rot. Bonds2

About (R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride

(R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride (PubChem CID 171212592) has the molecular formula C12H21ClN2 and a molecular weight of 228.77 g/mol. Its IUPAC name is (R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride
PubChem CID171212592
Molecular FormulaC12H21ClN2
Molecular Weight228.77 g/mol
Exact Mass228.14
IUPAC Name(R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride
SMILESCl.Cn1cccc1[C@H](N)C1CCCCC1
InChIInChI=1S/C12H20N2.ClH/c1-14-9-5-8-11(14)12(13)10-6-3-2-4-7-10;/h5,8-10,12H,2-4,6-7,13H2,1H3;1H/t12-;/m1./s1
InChIKeyTZBKOILFQBRVGU-UTONKHPSSA-N
XLogP3.03
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride
CID 171212590
cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62723083
cyclohexyl(phenyl)methanamine
CID 11064121
(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride
CID 171243825
cyclopentyl-(1-methylindol-3-yl)methanamine
CID 67858246
cyclopentyl-(4-phenylphenyl)methanamine
CID 43098534
cyclooctyl-(2-ethylpyrazol-3-yl)methanamine
CID 80604016
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
(1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride
CID 171311904
cyclobutyl-(1-methylpyrrol-3-yl)methanamine
CID 82280294
(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171210736
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 51894409

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride (CID 171212592) is (R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride is Cl.Cn1cccc1[C@H](N)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride?
The InChIKey is TZBKOILFQBRVGU-UTONKHPSSA-N. The full InChI is InChI=1S/C12H20N2.ClH/c1-14-9-5-8-11(14)12(13)10-6-3-2-4-7-10;/h5,8-10,12H,2-4,6-7,13H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride?
(R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride has a molecular weight of 228.77 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 171212592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).