1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine

C17H20N2 — CID 79742169

IUPAC1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(Cc1ccccc1)C1CCc2cc(N)ccc21
InChIInChI=1S/C17H20N2/c1-19(12-13-5-3-2-4-6-13)17-10-7-14-11-15(18)8-9-16(14)17/h2-6,8-9,11,17H,7,10,12,18H2,1H3
InChIKeyLNQGWLCOPDLQJI-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.39
Rot. Bonds3

About 1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine

1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79742169) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79742169
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(Cc1ccccc1)C1CCc2cc(N)ccc21
InChIInChI=1S/C17H20N2/c1-19(12-13-5-3-2-4-6-13)17-10-7-14-11-15(18)8-9-16(14)17/h2-6,8-9,11,17H,7,10,12,18H2,1H3
InChIKeyLNQGWLCOPDLQJI-UHFFFAOYSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79741442
1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79741538
1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79722348
2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798927
1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741459
1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742002
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 81063269
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79740810
1-N-propan-2-yl-1-N-propyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79742171
4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 47147174
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide
CID 79741077
N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide
CID 141275723

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine (CID 79742169) is 1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine is CN(Cc1ccccc1)C1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is LNQGWLCOPDLQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-19(12-13-5-3-2-4-6-13)17-10-7-14-11-15(18)8-9-16(14)17/h2-6,8-9,11,17H,7,10,12,18H2,1H3.
What are the key properties of 1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79742169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).