[4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium

C18H29N4O+ — CID 89398872

IUPAC[4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium
SMILESC[N+](C)(C)C1CN(CCCn2ccc3c(N)cccc32)CCO1
InChIInChI=1S/C18H29N4O/c1-22(2,3)18-14-20(12-13-23-18)9-5-10-21-11-8-15-16(19)6-4-7-17(15)21/h4,6-8,11,18H,5,9-10,12-14,19H2,1-3H3/q+1
InChIKeySDKFYXMFIBGFAB-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.98
Rot. Bonds5

About [4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium

[4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium (PubChem CID 89398872) has the molecular formula C18H29N4O+ and a molecular weight of 317.46 g/mol. Its IUPAC name is [4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium.

Molecular Properties

Compound Name[4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium
PubChem CID89398872
Molecular FormulaC18H29N4O+
Molecular Weight317.46 g/mol
Exact Mass317.23
IUPAC Name[4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium
SMILESC[N+](C)(C)C1CN(CCCn2ccc3c(N)cccc32)CCO1
InChIInChI=1S/C18H29N4O/c1-22(2,3)18-14-20(12-13-23-18)9-5-10-21-11-8-15-16(19)6-4-7-17(15)21/h4,6-8,11,18H,5,9-10,12-14,19H2,1-3H3/q+1
InChIKeySDKFYXMFIBGFAB-UHFFFAOYSA-N
XLogP1.98
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-(piperazin-1-yl)-1H-indole
CID 594590
3-(Morpholinomethyl)indole
CID 21477
4-(4-Benzyl-piperazin-1-yl)-1H-indole
CID 2728532
1H-indol-3-yl(morpholin-4-yl)methanethione
CID 391442
3-(3-methyl-1H-indol-1-yl)-N-(4-morpholinophenyl)propanamide
CID 2810627
1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1 H-indole, 4c
CID 56652776
2-{1-methyl-4-[(1-methyl-1H-indol-3-yl)methyl]piperazin-2-yl}ethanol
CID 23723472
1-(1-Propylpiperidin-4-yl)indole
CID 57300602
2-[[1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol
CID 134578518
Piperazine, 1-(3-(1-indolyl)propyl)-1-methyl-
CID 3018029
1-(Piperidin-4-yl)-1H-indole
CID 14090755
N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-3-yl}methyl)naphthalen-1-amine, 8
CID 44603602

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium?
The IUPAC name of [4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium (CID 89398872) is [4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium.
What is the SMILES notation for [4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium?
The canonical SMILES for [4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium is C[N+](C)(C)C1CN(CCCn2ccc3c(N)cccc32)CCO1.
What is the InChIKey of [4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium?
The InChIKey is SDKFYXMFIBGFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N4O/c1-22(2,3)18-14-20(12-13-23-18)9-5-10-21-11-8-15-16(19)6-4-7-17(15)21/h4,6-8,11,18H,5,9-10,12-14,19H2,1-3H3/q+1.
What are the key properties of [4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium?
[4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium has a molecular weight of 317.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-aminoindol-1-yl)propyl]morpholin-2-yl]-trimethylazanium is sourced from PubChem (CID 89398872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).