2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol

C17H28N2O — CID 81412714

IUPAC2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCCCN1CCc2ccccc21
InChIInChI=1S/C17H28N2O/c1-3-17(2,14-20)13-18-10-6-11-19-12-9-15-7-4-5-8-16(15)19/h4-5,7-8,18,20H,3,6,9-14H2,1-2H3
InChIKeyXHJQWZHMIBWPAG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.44
Rot. Bonds8

About 2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol

2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol (PubChem CID 81412714) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol
PubChem CID81412714
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCCCN1CCc2ccccc21
InChIInChI=1S/C17H28N2O/c1-3-17(2,14-20)13-18-10-6-11-19-12-9-15-7-4-5-8-16(15)19/h4-5,7-8,18,20H,3,6,9-14H2,1-2H3
InChIKeyXHJQWZHMIBWPAG-UHFFFAOYSA-N
XLogP2.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.44
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

3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
1-butyl-2,3-dihydroindole
CID 4167209
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64796687
2-(2,3-dihydroindol-1-ylmethyl)-N,2-dimethylbutan-1-amine
CID 62262026
4-(2,3-dihydroindol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
CID 64796909
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
2-amino-5-(3,4-dihydro-2H-quinolin-1-yl)-2-ethylpentan-1-ol
CID 106809115
6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64797124
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286
N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
CID 29275975
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62573733

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol (CID 81412714) is 2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNCCCN1CCc2ccccc21.
What is the InChIKey of 2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is XHJQWZHMIBWPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-17(2,14-20)13-18-10-6-11-19-12-9-15-7-4-5-8-16(15)19/h4-5,7-8,18,20H,3,6,9-14H2,1-2H3.
What are the key properties of 2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol?
2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81412714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).