N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine

C14H19N3 — CID 82732935

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
SMILESCCc1cccnc1CNCc1ccn(C)c1
InChIInChI=1S/C14H19N3/c1-3-13-5-4-7-16-14(13)10-15-9-12-6-8-17(2)11-12/h4-8,11,15H,3,9-10H2,1-2H3
InChIKeyLQPLQMJMWQLDRL-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.27
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine

N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine (PubChem CID 82732935) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
PubChem CID82732935
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
SMILESCCc1cccnc1CNCc1ccn(C)c1
InChIInChI=1S/C14H19N3/c1-3-13-5-4-7-16-14(13)10-15-9-12-6-8-17(2)11-12/h4-8,11,15H,3,9-10H2,1-2H3
InChIKeyLQPLQMJMWQLDRL-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 82731778
N-[(3-ethyl-2-pyridinyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 102881002
1-(4-chloro-3-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732090
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732596
4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile
CID 82738010
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66400598
1-(6-methyl-3-pyridinyl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66398571
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
N-[(3-ethyl-2-pyridinyl)methyl]-1-pyrazin-2-ylmethanamine
CID 82733194
N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine
CID 114472474

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine (CID 82732935) is N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine is CCc1cccnc1CNCc1ccn(C)c1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The InChIKey is LQPLQMJMWQLDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-13-5-4-7-16-14(13)10-15-9-12-6-8-17(2)11-12/h4-8,11,15H,3,9-10H2,1-2H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine is sourced from PubChem (CID 82732935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).