(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

CID 5702129
CID 5702129
CID 9794203
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CID 161283
CID 161283
CID 6919000
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CID 2222065
CID 2222065
CID 72898
CID 72898
CID 258690
CID 258690
CID 2770910
CID 2770910
CID 137778
CID 137778
CID 413448
CID 413448
CID 9964324
CID 9964324
CID 10679289
CID 10679289

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).