N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine

C16H26N2 — CID 83144156

IUPACN-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1ccc2c(c1)CCN2)C(C)(C)C
InChIInChI=1S/C16H26N2/c1-12(16(2,3)4)10-17-11-13-5-6-15-14(9-13)7-8-18-15/h5-6,9,12,17-18H,7-8,10-11H2,1-4H3
InChIKeyGDTBQAMWXFUNBG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.43
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine

N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine (PubChem CID 83144156) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine
PubChem CID83144156
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1ccc2c(c1)CCN2)C(C)(C)C
InChIInChI=1S/C16H26N2/c1-12(16(2,3)4)10-17-11-13-5-6-15-14(9-13)7-8-18-15/h5-6,9,12,17-18H,7-8,10-11H2,1-4H3
InChIKeyGDTBQAMWXFUNBG-UHFFFAOYSA-N
XLogP3.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913648
N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine
CID 107815618
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61150349
N-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 82257057
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine
CID 61150769
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide
CID 63834008
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119473758
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55008667
N-[(3-bromo-4-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83230110
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83141221

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine (CID 83144156) is N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine is CC(CNCc1ccc2c(c1)CCN2)C(C)(C)C.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The InChIKey is GDTBQAMWXFUNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(16(2,3)4)10-17-11-13-5-6-15-14(9-13)7-8-18-15/h5-6,9,12,17-18H,7-8,10-11H2,1-4H3.
What are the key properties of N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine?
N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.43, 4 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-5-ylmethyl)-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83144156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).