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

C16H26N2 — CID 80650139

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCc1cccc2c1NCC2
InChIInChI=1S/C16H26N2/c1-4-16(5-2,6-3)18-12-14-9-7-8-13-10-11-17-15(13)14/h7-9,17-18H,4-6,10-12H2,1-3H3
InChIKeyKIVVTDYZDURSCC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.71
Rot. Bonds6

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

N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine (PubChem CID 80650139) 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-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine
PubChem CID80650139
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCc1cccc2c1NCC2
InChIInChI=1S/C16H26N2/c1-4-16(5-2,6-3)18-12-14-9-7-8-13-10-11-17-15(13)14/h7-9,17-18H,4-6,10-12H2,1-3H3
InChIKeyKIVVTDYZDURSCC-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
CID 80649218
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexanamine
CID 80650268
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
2-(2,3-dihydro-1H-indol-7-yl)-N-methylacetamide
CID 115105290
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine
CID 80645613
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80649698
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
CID 80650265
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
CID 80648821
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-3-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine (CID 80650139) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine is CCC(CC)(CC)NCc1cccc2c1NCC2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine?
The InChIKey is KIVVTDYZDURSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-16(5-2,6-3)18-12-14-9-7-8-13-10-11-17-15(13)14/h7-9,17-18H,4-6,10-12H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine has a molecular weight of 246.40 g/mol, XLogP of 3.71, 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-3-amine is sourced from PubChem (CID 80650139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).