2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine

C18H29N3 — CID 63624247

IUPAC2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
SMILESCC1CCCN(C(CN)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C18H29N3/c1-14-4-3-9-21(11-7-14)18(13-19)15-5-6-17-16(12-15)8-10-20(17)2/h5-6,12,14,18H,3-4,7-11,13,19H2,1-2H3
InChIKeyUKHDRUUHWQKKJZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.80
Rot. Bonds3

About 2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine

2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine (PubChem CID 63624247) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
PubChem CID63624247
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
SMILESCC1CCCN(C(CN)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C18H29N3/c1-14-4-3-9-21(11-7-14)18(13-19)15-5-6-17-16(12-15)8-10-20(17)2/h5-6,12,14,18H,3-4,7-11,13,19H2,1-2H3
InChIKeyUKHDRUUHWQKKJZ-UHFFFAOYSA-N
XLogP2.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine 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-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 79188674
1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166554
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238
(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethanamine
CID 51675118
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65380739
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 93297931
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 93297932
N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095660
N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096530
N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096356
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine?
The IUPAC name of 2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine (CID 63624247) is 2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine?
The canonical SMILES for 2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine is CC1CCCN(C(CN)c2ccc3c(c2)CCN3C)CC1.
What is the InChIKey of 2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine?
The InChIKey is UKHDRUUHWQKKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14-4-3-9-21(11-7-14)18(13-19)15-5-6-17-16(12-15)8-10-20(17)2/h5-6,12,14,18H,3-4,7-11,13,19H2,1-2H3.
What are the key properties of 2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine?
2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine is sourced from PubChem (CID 63624247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).