N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine

C17H28N2 — CID 102913648

IUPACN-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc2c(c1)NCC2)C(C)C
InChIInChI=1S/C17H28N2/c1-12(2)16(13(3)4)11-18-10-14-5-6-15-7-8-19-17(15)9-14/h5-6,9,12-13,16,18-19H,7-8,10-11H2,1-4H3
InChIKeyZUHSTHSEQVITOT-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.67
Rot. Bonds6

About N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine

N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102913648) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102913648
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc2c(c1)NCC2)C(C)C
InChIInChI=1S/C17H28N2/c1-12(2)16(13(3)4)11-18-10-14-5-6-15-7-8-19-17(15)9-14/h5-6,9,12-13,16,18-19H,7-8,10-11H2,1-4H3
InChIKeyZUHSTHSEQVITOT-UHFFFAOYSA-N
XLogP3.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144156
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
CID 115105435
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine
CID 107815618
N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904534
2-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylethanamine
CID 115105305
3-(2,3-dihydro-1H-indol-6-yl)propan-1-amine
CID 115105426
6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole
CID 116698483
1-(2,3-dihydro-1H-indol-6-yl)ethanol
CID 84651673
N-(2,3-dihydro-1H-indol-6-ylmethyl)-N,2,2-trimethylpropan-1-amine
CID 113382557

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 102913648) is N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNCc1ccc2c(c1)NCC2)C(C)C.
What is the InChIKey of N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is ZUHSTHSEQVITOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)16(13(3)4)11-18-10-14-5-6-15-7-8-19-17(15)9-14/h5-6,9,12-13,16,18-19H,7-8,10-11H2,1-4H3.
What are the key properties of N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.67, 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-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102913648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).