N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine

C14H22N2 — CID 102661838

IUPACN-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc2c(c1)CCN2C
InChIInChI=1S/C14H22N2/c1-4-8-15-11(2)12-5-6-14-13(10-12)7-9-16(14)3/h5-6,10-11,15H,4,7-9H2,1-3H3
InChIKeyKJKANUJXVGRGHK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.74
Rot. Bonds4

About N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine

N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine (PubChem CID 102661838) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
PubChem CID102661838
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc2c(c1)CCN2C
InChIInChI=1S/C14H22N2/c1-4-8-15-11(2)12-5-6-14-13(10-12)7-9-16(14)3/h5-6,10-11,15H,4,7-9H2,1-3H3
InChIKeyKJKANUJXVGRGHK-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.74
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-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102662677
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
2-[6-[1-(propylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanol
CID 102662122
N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 102661391
N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine
CID 107899433
5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide
CID 102661387
N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661751
N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 62908479
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
N-[1-(3-bromo-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 55130910
(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 81351126

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine (CID 102661838) is N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine is CCCNC(C)c1ccc2c(c1)CCN2C.
What is the InChIKey of N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine?
The InChIKey is KJKANUJXVGRGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-8-15-11(2)12-5-6-14-13(10-12)7-9-16(14)3/h5-6,10-11,15H,4,7-9H2,1-3H3.
What are the key properties of N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine?
N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102661838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).