N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine

C16H26N2 — CID 115196158

IUPACN'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
SMILESCNCCNCC(C)(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H26N2/c1-16(2,12-18-10-9-17-3)15-8-7-13-5-4-6-14(13)11-15/h7-8,11,17-18H,4-6,9-10,12H2,1-3H3
InChIKeyKCHGEWYUTPFHAZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.26
Rot. Bonds6

About N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine

N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine (PubChem CID 115196158) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
PubChem CID115196158
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
SMILESCNCCNCC(C)(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H26N2/c1-16(2,12-18-10-9-17-3)15-8-7-13-5-4-6-14(13)11-15/h7-8,11,17-18H,4-6,9-10,12H2,1-3H3
InChIKeyKCHGEWYUTPFHAZ-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propane-1-thiol
CID 115225322
3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propanenitrile
CID 115231328
2-(2,3-dihydro-1H-inden-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261409
N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
CID 115197541
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile
CID 115131481
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830298
2-[[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]amino]acetamide
CID 115260325
2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]acetamide
CID 115162255
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide
CID 115172769
N'-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196149
3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830391
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine (CID 115196158) is N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine is CNCCNCC(C)(C)c1ccc2c(c1)CCC2.
What is the InChIKey of N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine?
The InChIKey is KCHGEWYUTPFHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,12-18-10-9-17-3)15-8-7-13-5-4-6-14(13)11-15/h7-8,11,17-18H,4-6,9-10,12H2,1-3H3.
What are the key properties of N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine?
N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 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)-2-methylpropyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 115196158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).