5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine

C20H29N5 — CID 67432068

IUPAC5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine
SMILESC=CCn1ccnc1CC(CCCN)NC1CCCc2cccnc21
InChIInChI=1S/C20H29N5/c1-2-13-25-14-12-22-19(25)15-17(8-4-10-21)24-18-9-3-6-16-7-5-11-23-20(16)18/h2,5,7,11-12,14,17-18,24H,1,3-4,6,8-10,13,15,21H2
InChIKeyKLQFKHVSDFPTEO-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.78
Rot. Bonds9

About 5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine

5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine (PubChem CID 67432068) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine
PubChem CID67432068
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine
SMILESC=CCn1ccnc1CC(CCCN)NC1CCCc2cccnc21
InChIInChI=1S/C20H29N5/c1-2-13-25-14-12-22-19(25)15-17(8-4-10-21)24-18-9-3-6-16-7-5-11-23-20(16)18/h2,5,7,11-12,14,17-18,24H,1,3-4,6,8-10,13,15,21H2
InChIKeyKLQFKHVSDFPTEO-UHFFFAOYSA-N
XLogP2.78
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine
CID 67817507
5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine
CID 67817161
5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine
CID 69294563
N-(1-cyclopropylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078646
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine
CID 67434748
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 114138079
3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 19851779
1-N,1-N-dimethyl-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,2-diamine
CID 82944895
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 116660575
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331

Frequently Asked Questions

What is the IUPAC name of 5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine?
The IUPAC name of 5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine (CID 67432068) is 5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine.
What is the SMILES notation for 5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine?
The canonical SMILES for 5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine is C=CCn1ccnc1CC(CCCN)NC1CCCc2cccnc21.
What is the InChIKey of 5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine?
The InChIKey is KLQFKHVSDFPTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-2-13-25-14-12-22-19(25)15-17(8-4-10-21)24-18-9-3-6-16-7-5-11-23-20(16)18/h2,5,7,11-12,14,17-18,24H,1,3-4,6,8-10,13,15,21H2.
What are the key properties of 5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine?
5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine has a molecular weight of 339.49 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine is sourced from PubChem (CID 67432068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).