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

C9H15ClN2 — CID 171212590

IUPAC(R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride
SMILESCl.Cn1cccc1[C@H](N)C1CC1
InChIInChI=1S/C9H14N2.ClH/c1-11-6-2-3-8(11)9(10)7-4-5-7;/h2-3,6-7,9H,4-5,10H2,1H3;1H/t9-;/m1./s1
InChIKeyYEFBKAMZCLVGDI-SBSPUUFOSA-N
MW186.69 g/mol
LogP1.86
Rot. Bonds2

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

(R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride (PubChem CID 171212590) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is (R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride
PubChem CID171212590
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name(R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride
SMILESCl.Cn1cccc1[C@H](N)C1CC1
InChIInChI=1S/C9H14N2.ClH/c1-11-6-2-3-8(11)9(10)7-4-5-7;/h2-3,6-7,9H,4-5,10H2,1H3;1H/t9-;/m1./s1
InChIKeyYEFBKAMZCLVGDI-SBSPUUFOSA-N
XLogP1.86
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride (CID 171212590) is (R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride is Cl.Cn1cccc1[C@H](N)C1CC1.
What is the InChIKey of (R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride?
The InChIKey is YEFBKAMZCLVGDI-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H14N2.ClH/c1-11-6-2-3-8(11)9(10)7-4-5-7;/h2-3,6-7,9H,4-5,10H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride?
(R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride has a molecular weight of 186.69 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 171212590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).