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

C9H17ClN2 — CID 17293409

IUPACN-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1cccn1C.Cl
InChIInChI=1S/C9H16N2.ClH/c1-3-6-10-8-9-5-4-7-11(9)2;/h4-5,7,10H,3,6,8H2,1-2H3;1H
InChIKeyKRLNYHMDBQJRLV-UHFFFAOYSA-N
MW188.70 g/mol
LogP1.95
Rot. Bonds4

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

N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 17293409) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
PubChem CID17293409
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1cccn1C.Cl
InChIInChI=1S/C9H16N2.ClH/c1-3-6-10-8-9-5-4-7-11(9)2;/h4-5,7,10H,3,6,8H2,1-2H3;1H
InChIKeyKRLNYHMDBQJRLV-UHFFFAOYSA-N
XLogP1.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 51.95
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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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]octan-1-amine;hydrochloride
CID 17331302
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 130478285
3-butoxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 115574170
3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 28876885
N'-butyl-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]ethane-1,2-diamine
CID 115641679
N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine
CID 46398450
1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
CID 17332528
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
5-[(1-methylpyrrol-2-yl)methylamino]pentanamide
CID 106234174
N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403728
N-[(1-methylpyrrol-2-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115642858
N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine
CID 62132424

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride (CID 17293409) is N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride is CCCNCc1cccn1C.Cl.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is KRLNYHMDBQJRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.ClH/c1-3-6-10-8-9-5-4-7-11(9)2;/h4-5,7,10H,3,6,8H2,1-2H3;1H.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride?
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 188.70 g/mol, XLogP of 1.95, 4 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]propan-1-amine;hydrochloride is sourced from PubChem (CID 17293409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).