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

C11H21ClN2 — CID 11948789

IUPACN-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1cccn1C.Cl
InChIInChI=1S/C11H20N2.ClH/c1-3-4-5-8-12-10-11-7-6-9-13(11)2;/h6-7,9,12H,3-5,8,10H2,1-2H3;1H
InChIKeyPZZWYWPXCJEXDV-UHFFFAOYSA-N
MW216.76 g/mol
LogP2.73
Rot. Bonds6

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

N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride (PubChem CID 11948789) has the molecular formula C11H21ClN2 and a molecular weight of 216.76 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride
PubChem CID11948789
Molecular FormulaC11H21ClN2
Molecular Weight216.76 g/mol
Exact Mass216.14
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1cccn1C.Cl
InChIInChI=1S/C11H20N2.ClH/c1-3-4-5-8-12-10-11-7-6-9-13(11)2;/h6-7,9,12H,3-5,8,10H2,1-2H3;1H
InChIKeyPZZWYWPXCJEXDV-UHFFFAOYSA-N
XLogP2.73
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride (CID 11948789) is N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride is CCCCCNCc1cccn1C.Cl.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride?
The InChIKey is PZZWYWPXCJEXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.ClH/c1-3-4-5-8-12-10-11-7-6-9-13(11)2;/h6-7,9,12H,3-5,8,10H2,1-2H3;1H.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride?
N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride has a molecular weight of 216.76 g/mol, XLogP of 2.73, 6 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]pentan-1-amine;hydrochloride is sourced from PubChem (CID 11948789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).