N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine

C13H20N2 — CID 115226970

IUPACN'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C13H20N2/c1-14-10-15(2)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,14H,3-5,9-10H2,1-2H3
InChIKeyCBZNJXNRISOUIK-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.78
Rot. Bonds4

About N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine

N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine (PubChem CID 115226970) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine
PubChem CID115226970
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C13H20N2/c1-14-10-15(2)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,14H,3-5,9-10H2,1-2H3
InChIKeyCBZNJXNRISOUIK-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine 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

[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]methanethiol
CID 115228031
N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine
CID 115226993
2,3-dihydro-1H-inden-5-ylmethyl(methyl)carbamothioic S-acid
CID 115170087
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one
CID 115235761
1-(azetidin-3-yl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylmethanamine
CID 115207637
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol
CID 115120672
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-1-ol
CID 115217645
2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202649
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine
CID 65303621

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine (CID 115226970) is N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine is CNCN(C)Cc1ccc2c(c1)CCC2.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine?
The InChIKey is CBZNJXNRISOUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-10-15(2)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,14H,3-5,9-10H2,1-2H3.
What are the key properties of N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine?
N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine has a molecular weight of 204.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115226970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).