N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride

C26H37ClN4 — CID 162459905

IUPACN'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCCCNCCC(c1cccnc1)c1cn(CC2CCCCC2)c2ccccc12
InChIInChI=1S/C26H36N4.ClH/c27-14-7-16-28-17-13-23(22-10-6-15-29-18-22)25-20-30(19-21-8-2-1-3-9-21)26-12-5-4-11-24(25)26;/h4-6,10-12,15,18,20-21,23,28H,1-3,7-9,13-14,16-17,19,27H2;1H
InChIKeyGDKJSDGBLHVYCD-UHFFFAOYSA-N
MW441.06 g/mol
LogP5.50
Rot. Bonds10

About N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride

N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride (PubChem CID 162459905) has the molecular formula C26H37ClN4 and a molecular weight of 441.06 g/mol. Its IUPAC name is N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride
PubChem CID162459905
Molecular FormulaC26H37ClN4
Molecular Weight441.06 g/mol
Exact Mass440.27
IUPAC NameN'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCCCNCCC(c1cccnc1)c1cn(CC2CCCCC2)c2ccccc12
InChIInChI=1S/C26H36N4.ClH/c27-14-7-16-28-17-13-23(22-10-6-15-29-18-22)25-20-30(19-21-8-2-1-3-9-21)26-12-5-4-11-24(25)26;/h4-6,10-12,15,18,20-21,23,28H,1-3,7-9,13-14,16-17,19,27H2;1H
InChIKeyGDKJSDGBLHVYCD-UHFFFAOYSA-N
XLogP5.50
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.06
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride with MolForge

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Related Compounds

4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine
CID 160785399
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-amine
CID 142579399
N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579745
N'-[3-cyclohexyl-3-(1-octylindol-3-yl)propyl]propane-1,3-diamine
CID 142579747
N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine
CID 142579561
1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane
CID 160945637
N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine
CID 142579659
1-(cyclohexylmethyl)-3-[1-(3-methylphenyl)-4-piperidin-4-ylbutyl]indole
CID 158088466
4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-(2-methylphenyl)butyl]cyclohexan-1-amine
CID 161181861
N'-[3-cyclohexyl-3-[1-(3,7-dimethylocta-2,6-dienyl)indol-3-yl]propyl]propane-1,3-diamine
CID 166691469
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-isoquinolin-4-ylpropanamide
CID 149471860
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-quinolin-3-ylpropanamide
CID 162460048

Frequently Asked Questions

What is the IUPAC name of N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride?
The IUPAC name of N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride (CID 162459905) is N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride is Cl.NCCCNCCC(c1cccnc1)c1cn(CC2CCCCC2)c2ccccc12.
What is the InChIKey of N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride?
The InChIKey is GDKJSDGBLHVYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4.ClH/c27-14-7-16-28-17-13-23(22-10-6-15-29-18-22)25-20-30(19-21-8-2-1-3-9-21)26-12-5-4-11-24(25)26;/h4-6,10-12,15,18,20-21,23,28H,1-3,7-9,13-14,16-17,19,27H2;1H.
What are the key properties of N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride?
N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride has a molecular weight of 441.06 g/mol, XLogP of 5.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 162459905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).