4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine

C16H26N2 — CID 55070127

IUPAC4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCN1c2ccccc2CC1C
InChIInChI=1S/C16H26N2/c1-3-10-17-11-6-7-12-18-14(2)13-15-8-4-5-9-16(15)18/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3
InChIKeyJSVYPPZOILSHHF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.22
Rot. Bonds7

About 4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine

4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine (PubChem CID 55070127) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
PubChem CID55070127
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCN1c2ccccc2CC1C
InChIInChI=1S/C16H26N2/c1-3-10-17-11-6-7-12-18-14(2)13-15-8-4-5-9-16(15)18/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3
InChIKeyJSVYPPZOILSHHF-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62424967
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine
CID 63482331
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
2-butyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111088770
2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile
CID 65257939
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100514224
2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 125059686

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine (CID 55070127) is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine is CCCNCCCCN1c2ccccc2CC1C.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine?
The InChIKey is JSVYPPZOILSHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-10-17-11-6-7-12-18-14(2)13-15-8-4-5-9-16(15)18/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3.
What are the key properties of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine?
4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 55070127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).