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

C11H16N2 — CID 115226489

IUPACN'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
SMILESCNCNc1ccc2c(c1)CCC2
InChIInChI=1S/C11H16N2/c1-12-8-13-11-6-5-9-3-2-4-10(9)7-11/h5-7,12-13H,2-4,8H2,1H3
InChIKeyALLOYEYXQRUMAI-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.76
Rot. Bonds3

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

N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine (PubChem CID 115226489) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
PubChem CID115226489
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
SMILESCNCNc1ccc2c(c1)CCC2
InChIInChI=1S/C11H16N2/c1-12-8-13-11-6-5-9-3-2-4-10(9)7-11/h5-7,12-13H,2-4,8H2,1H3
InChIKeyALLOYEYXQRUMAI-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
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

N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115212622
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115261521
N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43560294
2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115254752
N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
CID 114209369
N-tert-butyl-2,3-dihydro-1H-inden-5-amine;ethane
CID 167619505
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
CID 64554180
3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid
CID 115255887

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine (CID 115226489) is N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine is CNCNc1ccc2c(c1)CCC2.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine?
The InChIKey is ALLOYEYXQRUMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-12-8-13-11-6-5-9-3-2-4-10(9)7-11/h5-7,12-13H,2-4,8H2,1H3.
What are the key properties of N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine?
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine has a molecular weight of 176.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine is sourced from PubChem (CID 115226489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).