4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol

C15H22N2O — CID 106143200

IUPAC4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c1-15(2,7-8-18)11-16-9-12-10-17-14-6-4-3-5-13(12)14/h3-6,10,16-18H,7-9,11H2,1-2H3
InChIKeyLWOYWKCOMPSNDU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.67
Rot. Bonds6

About 4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol

4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol (PubChem CID 106143200) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol
PubChem CID106143200
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c1-15(2,7-8-18)11-16-9-12-10-17-14-6-4-3-5-13(12)14/h3-6,10,16-18H,7-9,11H2,1-2H3
InChIKeyLWOYWKCOMPSNDU-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1H-indol-3-ylmethylamino)methanol
CID 115228988
3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
CID 103617257
2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol
CID 115120563
2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269
1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol
CID 115121376
3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115134328
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol
CID 103708054
3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 103708140
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81411810
methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate
CID 62332433

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol (CID 106143200) is 4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is LWOYWKCOMPSNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,7-8-18)11-16-9-12-10-17-14-6-4-3-5-13(12)14/h3-6,10,16-18H,7-9,11H2,1-2H3.
What are the key properties of 4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol?
4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106143200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).