5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine

C22H30N4 — CID 67817507

IUPAC5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine
SMILESNCCCC(C[C@@H]1NCc2ccccc21)N[C@H]1CCCc2cccnc21
InChIInChI=1S/C22H30N4/c23-12-4-9-18(14-21-19-10-2-1-6-17(19)15-25-21)26-20-11-3-7-16-8-5-13-24-22(16)20/h1-2,5-6,8,10,13,18,20-21,25-26H,3-4,7,9,11-12,14-15,23H2/t18?,20-,21-/m0/s1
InChIKeyWGZAWUFAHSPJEB-LLQWEQGGSA-N
MW350.51 g/mol
LogP3.39
Rot. Bonds7

About 5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine

5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine (PubChem CID 67817507) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine
PubChem CID67817507
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine
SMILESNCCCC(C[C@@H]1NCc2ccccc21)N[C@H]1CCCc2cccnc21
InChIInChI=1S/C22H30N4/c23-12-4-9-18(14-21-19-10-2-1-6-17(19)15-25-21)26-20-11-3-7-16-8-5-13-24-22(16)20/h1-2,5-6,8,10,13,18,20-21,25-26H,3-4,7,9,11-12,14-15,23H2/t18?,20-,21-/m0/s1
InChIKeyWGZAWUFAHSPJEB-LLQWEQGGSA-N
XLogP3.39
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine with MolForge

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Related Compounds

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-[[(1R)-2,3-dihydro-1H-isoindol-1-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 126741238
5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine
CID 67432068
N-(1-cyclopropylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078646
5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine
CID 67434748
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
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
N'-[[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 57343965
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine?
The IUPAC name of 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) is 5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine.
What is the SMILES notation for 5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine?
The canonical SMILES for 5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine is NCCCC(C[C@@H]1NCc2ccccc21)N[C@H]1CCCc2cccnc21.
What is the InChIKey of 5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine?
The InChIKey is WGZAWUFAHSPJEB-LLQWEQGGSA-N. The full InChI is InChI=1S/C22H30N4/c23-12-4-9-18(14-21-19-10-2-1-6-17(19)15-25-21)26-20-11-3-7-16-8-5-13-24-22(16)20/h1-2,5-6,8,10,13,18,20-21,25-26H,3-4,7,9,11-12,14-15,23H2/t18?,20-,21-/m0/s1.
What are the key properties of 5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine?
5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine has a molecular weight of 350.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine is sourced from PubChem (CID 67817507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).