(2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine

C24H28N4 — CID 158689557

IUPAC(2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine
SMILESC[C@H](CC(N)CCc1c[nH]c2ccccc12)NCc1ccc2cnccc2c1
InChIInChI=1S/C24H28N4/c1-17(27-14-18-6-7-20-15-26-11-10-19(20)13-18)12-22(25)9-8-21-16-28-24-5-3-2-4-23(21)24/h2-7,10-11,13,15-17,22,27-28H,8-9,12,14,25H2,1H3/t17-,22?/m1/s1
InChIKeyIGECCTQTYZGSCB-PLEWWHCXSA-N
MW372.52 g/mol
LogP4.54
Rot. Bonds8

About (2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine

(2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine (PubChem CID 158689557) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is (2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine.

Molecular Properties

Compound Name(2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine
PubChem CID158689557
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name(2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine
SMILESC[C@H](CC(N)CCc1c[nH]c2ccccc12)NCc1ccc2cnccc2c1
InChIInChI=1S/C24H28N4/c1-17(27-14-18-6-7-20-15-26-11-10-19(20)13-18)12-22(25)9-8-21-16-28-24-5-3-2-4-23(21)24/h2-7,10-11,13,15-17,22,27-28H,8-9,12,14,25H2,1H3/t17-,22?/m1/s1
InChIKeyIGECCTQTYZGSCB-PLEWWHCXSA-N
XLogP4.54
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine with MolForge

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Related Compounds

(6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol
CID 157134711
(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine
CID 160577126
(2R)-6-[4-(2-aminoethyl)phenyl]-N-(isoquinolin-6-ylmethyl)hexan-2-amine
CID 158414323
N-(isoquinolin-6-ylmethyl)heptan-2-amine
CID 107037843
3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine
CID 67062617
(2R)-3-(1H-indol-3-yl)-1-N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 87648295
(2S,5R)-2-benzyl-5-(isoquinolin-6-ylmethylamino)hexanoic acid
CID 158703446
(2R)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]propan-2-amine
CID 10194205
methyl (2S,5R)-2-benzyl-5-(isoquinolin-6-ylmethylamino)hexanoate
CID 158703448
N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 70211742
(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine
CID 164642681
(2R)-6-(3-fluorophenyl)-N-(isoquinolin-6-ylmethyl)hexan-2-amine;hydrochloride
CID 159382135

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine?
The IUPAC name of (2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine (CID 158689557) is (2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine.
What is the SMILES notation for (2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine?
The canonical SMILES for (2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine is C[C@H](CC(N)CCc1c[nH]c2ccccc12)NCc1ccc2cnccc2c1.
What is the InChIKey of (2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine?
The InChIKey is IGECCTQTYZGSCB-PLEWWHCXSA-N. The full InChI is InChI=1S/C24H28N4/c1-17(27-14-18-6-7-20-15-26-11-10-19(20)13-18)12-22(25)9-8-21-16-28-24-5-3-2-4-23(21)24/h2-7,10-11,13,15-17,22,27-28H,8-9,12,14,25H2,1H3/t17-,22?/m1/s1.
What are the key properties of (2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine?
(2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine has a molecular weight of 372.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine is sourced from PubChem (CID 158689557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).