ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene

C18H31NO — CID 144532564

IUPACethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene
SMILESCC.CCCC(C)(C)c1ccc2c(c1)CCC2.NC=O
InChIInChI=1S/C15H22.C2H6.CH3NO/c1-4-10-15(2,3)14-9-8-12-6-5-7-13(12)11-14;1-2;2-1-3/h8-9,11H,4-7,10H2,1-3H3;1-2H3;1H,(H2,2,3)
InChIKeyVLWKQMDKFKBBNF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.38
Rot. Bonds3

About ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene

ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene (PubChem CID 144532564) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Nameethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene
PubChem CID144532564
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Nameethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene
SMILESCC.CCCC(C)(C)c1ccc2c(c1)CCC2.NC=O
InChIInChI=1S/C15H22.C2H6.CH3NO/c1-4-10-15(2,3)14-9-8-12-6-5-7-13(12)11-14;1-2;2-1-3/h8-9,11H,4-7,10H2,1-3H3;1-2H3;1H,(H2,2,3)
InChIKeyVLWKQMDKFKBBNF-UHFFFAOYSA-N
XLogP4.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830298
2-(2,3-dihydro-1H-inden-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261409
3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830391
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine
CID 115629541
2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol
CID 114194197
N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196158
2-[[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]amino]acetamide
CID 115260325
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile
CID 115131481
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpropane-1-thiol
CID 163562027
3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid
CID 112507670
N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
CID 115197541

Frequently Asked Questions

What is the IUPAC name of ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene?
The IUPAC name of ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene (CID 144532564) is ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene.
What is the SMILES notation for ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene?
The canonical SMILES for ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene is CC.CCCC(C)(C)c1ccc2c(c1)CCC2.NC=O.
What is the InChIKey of ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene?
The InChIKey is VLWKQMDKFKBBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.C2H6.CH3NO/c1-4-10-15(2,3)14-9-8-12-6-5-7-13(12)11-14;1-2;2-1-3/h8-9,11H,4-7,10H2,1-3H3;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene?
ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene has a molecular weight of 277.45 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 144532564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).