3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol

C17H26N2O — CID 107235809

IUPAC3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C17H26N2O/c1-5-17(20,6-2)12-18-11-16-13(3)14-9-7-8-10-15(14)19(16)4/h7-10,18,20H,5-6,11-12H2,1-4H3
InChIKeyZVGJEWKYHJNXDI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.13
Rot. Bonds6

About 3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol

3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol (PubChem CID 107235809) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol
PubChem CID107235809
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C17H26N2O/c1-5-17(20,6-2)12-18-11-16-13(3)14-9-7-8-10-15(14)19(16)4/h7-10,18,20H,5-6,11-12H2,1-4H3
InChIKeyZVGJEWKYHJNXDI-UHFFFAOYSA-N
XLogP3.13
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 21722
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CID 23492
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
Rimcazole dihydrochloride
CID 53388
9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
3-((Dimethylamino)methyl)-2-methylindole
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N,N'-Dimethyltryptamine
CID 37796
N-Butylcarbazole
CID 73872
1-(Cyclohexylamino)-3-(6-methyl-3,4-dihydro-1H-carbazol-9(2H)-YL)propan-2-OL
CID 961704
Pnu-22394
CID 27559

Frequently Asked Questions

What is the IUPAC name of 3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol (CID 107235809) is 3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCc1c(C)c2ccccc2n1C.
What is the InChIKey of 3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol?
The InChIKey is ZVGJEWKYHJNXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-17(20,6-2)12-18-11-16-13(3)14-9-7-8-10-15(14)19(16)4/h7-10,18,20H,5-6,11-12H2,1-4H3.
What are the key properties of 3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol?
3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol has a molecular weight of 274.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 107235809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).