N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine

C17H28N2 — CID 102661751

IUPACN-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCCNC(C)c1ccc2c(c1)CCN2CCC(C)C
InChIInChI=1S/C17H28N2/c1-5-18-14(4)15-6-7-17-16(12-15)9-11-19(17)10-8-13(2)3/h6-7,12-14,18H,5,8-11H2,1-4H3
InChIKeyMFCQDLAELLRUKR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.77
Rot. Bonds6

About N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine

N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102661751) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102661751
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCCNC(C)c1ccc2c(c1)CCN2CCC(C)C
InChIInChI=1S/C17H28N2/c1-5-18-14(4)15-6-7-17-16(12-15)9-11-19(17)10-8-13(2)3/h6-7,12-14,18H,5,8-11H2,1-4H3
InChIKeyMFCQDLAELLRUKR-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[1-(3-fluoropropyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661804
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]-2,3-dihydroindol-5-yl]ethanamine
CID 106449089
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662070
N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661757
4-[6-[1-(ethylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol
CID 102662106
N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661787
N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102662108
1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661632
2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661865
5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol
CID 102661847
N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102661838

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine (CID 102661751) is N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine is CCNC(C)c1ccc2c(c1)CCN2CCC(C)C.
What is the InChIKey of N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is MFCQDLAELLRUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-18-14(4)15-6-7-17-16(12-15)9-11-19(17)10-8-13(2)3/h6-7,12-14,18H,5,8-11H2,1-4H3.
What are the key properties of N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine?
N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102661751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).