2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine

C18H30N2 — CID 63482331

IUPAC2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)CN1c2ccccc2CC1C
InChIInChI=1S/C18H30N2/c1-5-11-19-13-18(4,6-2)14-20-15(3)12-16-9-7-8-10-17(16)20/h7-10,15,19H,5-6,11-14H2,1-4H3
InChIKeyOSBCJGFIMKNVAE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds7

About 2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine

2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine (PubChem CID 63482331) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine
PubChem CID63482331
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)CN1c2ccccc2CC1C
InChIInChI=1S/C18H30N2/c1-5-11-19-13-18(4,6-2)14-20-15(3)12-16-9-7-8-10-17(16)20/h7-10,15,19H,5-6,11-14H2,1-4H3
InChIKeyOSBCJGFIMKNVAE-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-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

4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
CID 55070127
N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine
CID 62262104
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 66336364
2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol
CID 62271455
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79244943
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol
CID 62044766
1-[(2-methyl-2,3-dihydroindol-1-yl)methyl]cyclopropan-1-amine
CID 65458877
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62424967
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine?
The IUPAC name of 2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine (CID 63482331) is 2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine.
What is the SMILES notation for 2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine?
The canonical SMILES for 2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine is CCCNCC(C)(CC)CN1c2ccccc2CC1C.
What is the InChIKey of 2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine?
The InChIKey is OSBCJGFIMKNVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-11-19-13-18(4,6-2)14-20-15(3)12-16-9-7-8-10-17(16)20/h7-10,15,19H,5-6,11-14H2,1-4H3.
What are the key properties of 2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine?
2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine is sourced from PubChem (CID 63482331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).