2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine

C18H29N — CID 83159396

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1ccc2c(c1)CCC2)C(C)C
InChIInChI=1S/C18H29N/c1-5-19-13-18(4,14(2)3)12-15-9-10-16-7-6-8-17(16)11-15/h9-11,14,19H,5-8,12-13H2,1-4H3
InChIKeyRUTGYWQGHLYSMI-UHFFFAOYSA-N
MW259.44 g/mol
LogP3.99
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine

2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 83159396) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID83159396
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1ccc2c(c1)CCC2)C(C)C
InChIInChI=1S/C18H29N/c1-5-19-13-18(4,14(2)3)12-15-9-10-16-7-6-8-17(16)11-15/h9-11,14,19H,5-8,12-13H2,1-4H3
InChIKeyRUTGYWQGHLYSMI-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 83159671
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylbutan-1-ol
CID 83150043
2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159839
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine
CID 62353443
1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66037730
N-ethyl-2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62355231
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151559
N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 63809220
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine (CID 83159396) is 2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine is CCNCC(C)(Cc1ccc2c(c1)CCC2)C(C)C.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is RUTGYWQGHLYSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-19-13-18(4,14(2)3)12-15-9-10-16-7-6-8-17(16)11-15/h9-11,14,19H,5-8,12-13H2,1-4H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine?
2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83159396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).