N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine

C14H22N2 — CID 43512849

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1Cc2ccccc2C1
InChIInChI=1S/C14H22N2/c1-16(2)9-5-8-15-14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14-15H,5,8-11H2,1-2H3
InChIKeyRGYUJOJKLQDQJZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.70
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine

N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 43512849) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID43512849
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1Cc2ccccc2C1
InChIInChI=1S/C14H22N2/c1-16(2)9-5-8-15-14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14-15H,5,8-11H2,1-2H3
InChIKeyRGYUJOJKLQDQJZ-UHFFFAOYSA-N
XLogP1.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 43512849) is N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is RGYUJOJKLQDQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(2)9-5-8-15-14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14-15H,5,8-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 1.70, 5 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-2-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 43512849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).