N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine

C16H26N2 — CID 80566591

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)CC1CNc2ccccc21
InChIInChI=1S/C16H26N2/c1-12(2)9-13(3)18(4)11-14-10-17-16-8-6-5-7-15(14)16/h5-8,12-14,17H,9-11H2,1-4H3
InChIKeyHWDSYIFFLIJXAQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.56
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine (PubChem CID 80566591) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine
PubChem CID80566591
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)CC1CNc2ccccc21
InChIInChI=1S/C16H26N2/c1-12(2)9-13(3)18(4)11-14-10-17-16-8-6-5-7-15(14)16/h5-8,12-14,17H,9-11H2,1-4H3
InChIKeyHWDSYIFFLIJXAQ-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567011
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 80566631
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine
CID 80567043
N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline
CID 80566627
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113426004
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
CID 82951861
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide
CID 80573144
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 80566518
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 80566592

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine (CID 80566591) is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine is CC(C)CC(C)N(C)CC1CNc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine?
The InChIKey is HWDSYIFFLIJXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)9-13(3)18(4)11-14-10-17-16-8-6-5-7-15(14)16/h5-8,12-14,17H,9-11H2,1-4H3.
What are the key properties of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine?
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 80566591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).