3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine

C15H20N4 — CID 114718280

IUPAC3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine
SMILESNCCCn1cncc1-c1cccc2c1NCCC2
InChIInChI=1S/C15H20N4/c16-7-3-9-19-11-17-10-14(19)13-6-1-4-12-5-2-8-18-15(12)13/h1,4,6,10-11,18H,2-3,5,7-9,16H2
InChIKeySBCKZGAHBGDNSD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.26
Rot. Bonds4

About 3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine

3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine (PubChem CID 114718280) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine
PubChem CID114718280
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine
SMILESNCCCn1cncc1-c1cccc2c1NCCC2
InChIInChI=1S/C15H20N4/c16-7-3-9-19-11-17-10-14(19)13-6-1-4-12-5-2-8-18-15(12)13/h1,4,6,10-11,18H,2-3,5,7-9,16H2
InChIKeySBCKZGAHBGDNSD-UHFFFAOYSA-N
XLogP2.26
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 106422528
8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722364
N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide
CID 114715972
8-[3-(2-cyclopropylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722102
7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114716253
7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114717398
8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114717316
8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 114716664
3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-methylpropanamide
CID 114719194
8-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722090
3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide
CID 114721852
2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106377546

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine (CID 114718280) is 3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine is NCCCn1cncc1-c1cccc2c1NCCC2.
What is the InChIKey of 3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine?
The InChIKey is SBCKZGAHBGDNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-7-3-9-19-11-17-10-14(19)13-6-1-4-12-5-2-8-18-15(12)13/h1,4,6,10-11,18H,2-3,5,7-9,16H2.
What are the key properties of 3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine?
3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 114718280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).