5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol

C16H24N2O — CID 106144224

IUPAC5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H24N2O/c1-16(2,7-3-9-19)12-17-11-13-4-5-15-14(10-13)6-8-18-15/h4-6,8,10,17-19H,3,7,9,11-12H2,1-2H3
InChIKeyYXDVGNBYMBQQQB-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.06
Rot. Bonds7

About 5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol

5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106144224) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
PubChem CID106144224
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H24N2O/c1-16(2,7-3-9-19)12-17-11-13-4-5-15-14(10-13)6-8-18-15/h4-6,8,10,17-19H,3,7,9,11-12H2,1-2H3
InChIKeyYXDVGNBYMBQQQB-UHFFFAOYSA-N
XLogP3.06
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol
CID 106145243
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897720
5-[(3-fluoro-4-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897533
5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide
CID 102911664
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 102911394
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679
N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 102909185

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol (CID 106144224) is 5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is YXDVGNBYMBQQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,7-3-9-19)12-17-11-13-4-5-15-14(10-13)6-8-18-15/h4-6,8,10,17-19H,3,7,9,11-12H2,1-2H3.
What are the key properties of 5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol?
5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106144224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).