3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol

C15H22N2O2 — CID 102914318

IUPAC3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
SMILESCCCNCc1cccc2ccn(CC(O)CO)c12
InChIInChI=1S/C15H22N2O2/c1-2-7-16-9-13-5-3-4-12-6-8-17(15(12)13)10-14(19)11-18/h3-6,8,14,16,18-19H,2,7,9-11H2,1H3
InChIKeySMMRZIVLBJSVPI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.49
Rot. Bonds7

About 3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol

3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol (PubChem CID 102914318) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
PubChem CID102914318
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
SMILESCCCNCc1cccc2ccn(CC(O)CO)c12
InChIInChI=1S/C15H22N2O2/c1-2-7-16-9-13-5-3-4-12-6-8-17(15(12)13)10-14(19)11-18/h3-6,8,14,16,18-19H,2,7,9-11H2,1H3
InChIKeySMMRZIVLBJSVPI-UHFFFAOYSA-N
XLogP1.49
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
CID 102914380
2-[7-(propylaminomethyl)indol-1-yl]acetonitrile
CID 102914342
N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
CID 102914354
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
CID 102914312
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
CID 102914247
N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
CID 102914268
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
CID 102914308
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060
2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine
CID 66038082

Frequently Asked Questions

What is the IUPAC name of 3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol (CID 102914318) is 3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol is CCCNCc1cccc2ccn(CC(O)CO)c12.
What is the InChIKey of 3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol?
The InChIKey is SMMRZIVLBJSVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-7-16-9-13-5-3-4-12-6-8-17(15(12)13)10-14(19)11-18/h3-6,8,14,16,18-19H,2,7,9-11H2,1H3.
What are the key properties of 3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol?
3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol has a molecular weight of 262.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol is sourced from PubChem (CID 102914318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).