2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine

C15H30N2O — CID 82746702

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine
SMILESCOCC(CN)(C(C)C)N1CCC2CCCCC21
InChIInChI=1S/C15H30N2O/c1-12(2)15(10-16,11-18-3)17-9-8-13-6-4-5-7-14(13)17/h12-14H,4-11,16H2,1-3H3
InChIKeyHDMACNCGJYNUSR-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds5

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine (PubChem CID 82746702) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine
PubChem CID82746702
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine
SMILESCOCC(CN)(C(C)C)N1CCC2CCCCC21
InChIInChI=1S/C15H30N2O/c1-12(2)15(10-16,11-18-3)17-9-8-13-6-4-5-7-14(13)17/h12-14H,4-11,16H2,1-3H3
InChIKeyHDMACNCGJYNUSR-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-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

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine
CID 82747633
2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180835
2-(methoxymethyl)-2-(3-methoxypiperidin-1-yl)-3-methylbutan-1-amine
CID 102965095
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine
CID 113493229
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxypropan-1-amine
CID 103227391
2-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-amine
CID 103226041
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine
CID 102725677
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66179040
3-(2-cyclopentylpyrrolidin-1-yl)-2-methoxypropan-1-amine
CID 106114735
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine
CID 106115066
2-cyclopentyl-2-(methoxymethyl)-3-methylbutan-1-amine
CID 139927528
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine (CID 82746702) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine is COCC(CN)(C(C)C)N1CCC2CCCCC21.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine?
The InChIKey is HDMACNCGJYNUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)15(10-16,11-18-3)17-9-8-13-6-4-5-7-14(13)17/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 82746702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).