N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine

C17H26N4 — CID 79751340

IUPACN-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CCC)c1cccc(C)n1
InChIInChI=1S/C17H26N4/c1-4-9-18-16(15-8-6-7-14(3)20-15)13-17-19-10-12-21(17)11-5-2/h6-8,10,12,16,18H,4-5,9,11,13H2,1-3H3
InChIKeyVBDDDEDQHCNPJC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.28
Rot. Bonds8

About N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 79751340) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID79751340
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CCC)c1cccc(C)n1
InChIInChI=1S/C17H26N4/c1-4-9-18-16(15-8-6-7-14(3)20-15)13-17-19-10-12-21(17)11-5-2/h6-8,10,12,16,18H,4-5,9,11,13H2,1-3H3
InChIKeyVBDDDEDQHCNPJC-UHFFFAOYSA-N
XLogP3.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752583
N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 104805932
N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105012328
N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752603
N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 107985190
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012514
N-[2-(1-ethylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755587
N-propyl-1-(1-propylimidazol-2-yl)-3-pyridin-2-ylpropan-2-amine
CID 79752625
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760658

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine (CID 79751340) is N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CCC)c1cccc(C)n1.
What is the InChIKey of N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is VBDDDEDQHCNPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-9-18-16(15-8-6-7-14(3)20-15)13-17-19-10-12-21(17)11-5-2/h6-8,10,12,16,18H,4-5,9,11,13H2,1-3H3.
What are the key properties of N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79751340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).