3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol

C15H22N2O — CID 106172243

IUPAC3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H22N2O/c1-3-15(2,7-9-18)17-11-12-4-5-13-6-8-16-14(13)10-12/h4-6,8,10,16-18H,3,7,9,11H2,1-2H3
InChIKeyPFKFYNDRLCNIKT-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.81
Rot. Bonds6

About 3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol

3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol (PubChem CID 106172243) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol
PubChem CID106172243
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H22N2O/c1-3-15(2,7-9-18)17-11-12-4-5-13-6-8-16-14(13)10-12/h4-6,8,10,16-18H,3,7,9,11H2,1-2H3
InChIKeyPFKFYNDRLCNIKT-UHFFFAOYSA-N
XLogP2.81
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol (CID 106172243) is 3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol is CCC(C)(CCO)NCc1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol?
The InChIKey is PFKFYNDRLCNIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-15(2,7-9-18)17-11-12-4-5-13-6-8-16-14(13)10-12/h4-6,8,10,16-18H,3,7,9,11H2,1-2H3.
What are the key properties of 3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol?
3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 106172243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).