N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine

C13H20N2 — CID 115226180

IUPACN'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine
SMILESCN(CN)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H20N2/c1-15(10-14)8-7-11-5-6-12-3-2-4-13(12)9-11/h5-6,9H,2-4,7-8,10,14H2,1H3
InChIKeyYGXNKBSKCVSKIE-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.57
Rot. Bonds4

About N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine

N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine (PubChem CID 115226180) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine
PubChem CID115226180
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine
SMILESCN(CN)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H20N2/c1-15(10-14)8-7-11-5-6-12-3-2-4-13(12)9-11/h5-6,9H,2-4,7-8,10,14H2,1H3
InChIKeyYGXNKBSKCVSKIE-UHFFFAOYSA-N
XLogP1.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
CID 115229439
N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115263460
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N'-methylmethanediamine
CID 115226187
3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide
CID 115154399
2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid
CID 117042005
methyl 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]-2-oxoacetate
CID 115142607
5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one
CID 115226209

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine?
The IUPAC name of N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine (CID 115226180) is N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine is CN(CN)CCc1ccc2c(c1)CCC2.
What is the InChIKey of N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine?
The InChIKey is YGXNKBSKCVSKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(10-14)8-7-11-5-6-12-3-2-4-13(12)9-11/h5-6,9H,2-4,7-8,10,14H2,1H3.
What are the key properties of N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine?
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine has a molecular weight of 204.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine is sourced from PubChem (CID 115226180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).