6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C18H30N2O — CID 64797124

IUPAC6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN1CCc2ccccc21
InChIInChI=1S/C18H30N2O/c1-15(2)19-18(3,14-21)11-6-7-12-20-13-10-16-8-4-5-9-17(16)20/h4-5,8-9,15,19,21H,6-7,10-14H2,1-3H3
InChIKeyHRVSZGUKUNBLQW-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.97
Rot. Bonds8

About 6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64797124) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64797124
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN1CCc2ccccc21
InChIInChI=1S/C18H30N2O/c1-15(2)19-18(3,14-21)11-6-7-12-20-13-10-16-8-4-5-9-17(16)20/h4-5,8-9,15,19,21H,6-7,10-14H2,1-3H3
InChIKeyHRVSZGUKUNBLQW-UHFFFAOYSA-N
XLogP2.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64786440
2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64789196
4-(2,3-dihydroindol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
CID 64796909
4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64796687
2-amino-5-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-ol
CID 64797597
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 103503977
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol
CID 81412714
1-butyl-2,3-dihydroindole
CID 4167209
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile
CID 65257292

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64797124) is 6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCN1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is HRVSZGUKUNBLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)19-18(3,14-21)11-6-7-12-20-13-10-16-8-4-5-9-17(16)20/h4-5,8-9,15,19,21H,6-7,10-14H2,1-3H3.
What are the key properties of 6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64797124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).