1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine

C16H25N3 — CID 79740810

IUPAC1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN1CCC(CN(C)C2CCc3cc(N)ccc32)C1
InChIInChI=1S/C16H25N3/c1-18-8-7-12(10-18)11-19(2)16-6-3-13-9-14(17)4-5-15(13)16/h4-5,9,12,16H,3,6-8,10-11,17H2,1-2H3
InChIKeyBXTCUROKGMWBLW-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.14
Rot. Bonds3

About 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79740810) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79740810
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN1CCC(CN(C)C2CCc3cc(N)ccc32)C1
InChIInChI=1S/C16H25N3/c1-18-8-7-12(10-18)11-19(2)16-6-3-13-9-14(17)4-5-15(13)16/h4-5,9,12,16H,3,6-8,10-11,17H2,1-2H3
InChIKeyBXTCUROKGMWBLW-UHFFFAOYSA-N
XLogP2.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79740810) is 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is CN1CCC(CN(C)C2CCc3cc(N)ccc32)C1.
What is the InChIKey of 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is BXTCUROKGMWBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-8-7-12(10-18)11-19(2)16-6-3-13-9-14(17)4-5-15(13)16/h4-5,9,12,16H,3,6-8,10-11,17H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79740810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).