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

C12H16ClN3 — CID 2996982

IUPACN-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESCl.Cn1cccc1CNCc1ccccn1
InChIInChI=1S/C12H15N3.ClH/c1-15-8-4-6-12(15)10-13-9-11-5-2-3-7-14-11;/h2-8,13H,9-10H2,1H3;1H
InChIKeyCICTXINOAUSDDD-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.13
Rot. Bonds4

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

N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride (PubChem CID 2996982) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
PubChem CID2996982
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESCl.Cn1cccc1CNCc1ccccn1
InChIInChI=1S/C12H15N3.ClH/c1-15-8-4-6-12(15)10-13-9-11-5-2-3-7-14-11;/h2-8,13H,9-10H2,1H3;1H
InChIKeyCICTXINOAUSDDD-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 119140092
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
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N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
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N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
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1-(1-methylpyrrol-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
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N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
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1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
CID 17332528
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 66116744
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride (CID 2996982) is N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride is Cl.Cn1cccc1CNCc1ccccn1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The InChIKey is CICTXINOAUSDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.ClH/c1-15-8-4-6-12(15)10-13-9-11-5-2-3-7-14-11;/h2-8,13H,9-10H2,1H3;1H.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 2996982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).