N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride

C11H19ClN2 — CID 11948910

IUPACN-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride
SMILESCl.Cn1cccc1CNC1CCCC1
InChIInChI=1S/C11H18N2.ClH/c1-13-8-4-7-11(13)9-12-10-5-2-3-6-10;/h4,7-8,10,12H,2-3,5-6,9H2,1H3;1H
InChIKeyHDUKMTGXSCCJKD-UHFFFAOYSA-N
MW214.74 g/mol
LogP2.48
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride

N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride (PubChem CID 11948910) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride
PubChem CID11948910
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride
SMILESCl.Cn1cccc1CNC1CCCC1
InChIInChI=1S/C11H18N2.ClH/c1-13-8-4-7-11(13)9-12-10-5-2-3-6-10;/h4,7-8,10,12H,2-3,5-6,9H2,1H3;1H
InChIKeyHDUKMTGXSCCJKD-UHFFFAOYSA-N
XLogP2.48
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride (CID 11948910) is N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride is Cl.Cn1cccc1CNC1CCCC1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride?
The InChIKey is HDUKMTGXSCCJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.ClH/c1-13-8-4-7-11(13)9-12-10-5-2-3-6-10;/h4,7-8,10,12H,2-3,5-6,9H2,1H3;1H.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride?
N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride has a molecular weight of 214.74 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine;hydrochloride is sourced from PubChem (CID 11948910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).