N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine

C16H26N2 — CID 80649218

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCc1cccc2c1NCC2
InChIInChI=1S/C16H26N2/c1-4-13(5-2)12(3)18-11-15-8-6-7-14-9-10-17-16(14)15/h6-8,12-13,17-18H,4-5,9-11H2,1-3H3
InChIKeyVVSWREONDVHVFF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.57
Rot. Bonds6

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine (PubChem CID 80649218) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
PubChem CID80649218
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCc1cccc2c1NCC2
InChIInChI=1S/C16H26N2/c1-4-13(5-2)12(3)18-11-15-8-6-7-14-9-10-17-16(14)15/h6-8,12-13,17-18H,4-5,9-11H2,1-3H3
InChIKeyVVSWREONDVHVFF-UHFFFAOYSA-N
XLogP3.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
CID 80648821
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 80650058
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine
CID 81398862
(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 81352928
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 80649791
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-fluorophenyl)ethanamine
CID 80649925
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine
CID 80650370
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxypentan-2-amine
CID 80649718
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine
CID 80650139
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
CID 80650053
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 80649684

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine (CID 80649218) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine is CCC(CC)C(C)NCc1cccc2c1NCC2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine?
The InChIKey is VVSWREONDVHVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-13(5-2)12(3)18-11-15-8-6-7-14-9-10-17-16(14)15/h6-8,12-13,17-18H,4-5,9-11H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine is sourced from PubChem (CID 80649218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).