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

C16H23N3 — CID 82731778

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
SMILESCCCn1cccc1CNCc1ncccc1CC
InChIInChI=1S/C16H23N3/c1-3-10-19-11-6-8-15(19)12-17-13-16-14(4-2)7-5-9-18-16/h5-9,11,17H,3-4,10,12-13H2,1-2H3
InChIKeyPOROZTHGVBCKNQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.15
Rot. Bonds7

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

N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine (PubChem CID 82731778) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
PubChem CID82731778
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
SMILESCCCn1cccc1CNCc1ncccc1CC
InChIInChI=1S/C16H23N3/c1-3-10-19-11-6-8-15(19)12-17-13-16-14(4-2)7-5-9-18-16/h5-9,11,17H,3-4,10,12-13H2,1-2H3
InChIKeyPOROZTHGVBCKNQ-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 82732935
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66411498
1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 66411148
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413345
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66412559
1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732596

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine (CID 82731778) is N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine is CCCn1cccc1CNCc1ncccc1CC.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
The InChIKey is POROZTHGVBCKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-10-19-11-6-8-15(19)12-17-13-16-14(4-2)7-5-9-18-16/h5-9,11,17H,3-4,10,12-13H2,1-2H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.15, 7 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-propylpyrrol-2-yl)methanamine is sourced from PubChem (CID 82731778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).