N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine

C14H20N4 — CID 66131160

IUPACN-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCCCn1cncc1CNCCc1cccnc1
InChIInChI=1S/C14H20N4/c1-2-8-18-12-17-11-14(18)10-16-7-5-13-4-3-6-15-9-13/h3-4,6,9,11-12,16H,2,5,7-8,10H2,1H3
InChIKeyOKCLFBVKYWSEMJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.02
Rot. Bonds7

About N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine

N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 66131160) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
PubChem CID66131160
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCCCn1cncc1CNCCc1cccnc1
InChIInChI=1S/C14H20N4/c1-2-8-18-12-17-11-14(18)10-16-7-5-13-4-3-6-15-9-13/h3-4,6,9,11-12,16H,2,5,7-8,10H2,1H3
InChIKeyOKCLFBVKYWSEMJ-UHFFFAOYSA-N
XLogP2.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106259901
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 80681547
3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66130980
2-(5-chlorothiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106042132
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66411498
N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 78921214
N-[(3-propylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 66134165
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391

Frequently Asked Questions

What is the IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine (CID 66131160) is N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine is CCCn1cncc1CNCCc1cccnc1.
What is the InChIKey of N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is OKCLFBVKYWSEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-8-18-12-17-11-14(18)10-16-7-5-13-4-3-6-15-9-13/h3-4,6,9,11-12,16H,2,5,7-8,10H2,1H3.
What are the key properties of N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine?
N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 66131160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).