ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine

C19H43N — CID 143272816

IUPACethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine
SMILESC=CC1=C(C)CC(C)(C)C1NC.CC.CC.CC.CC
InChIInChI=1S/C11H19N.4C2H6/c1-6-9-8(2)7-11(3,4)10(9)12-5;4*1-2/h6,10,12H,1,7H2,2-5H3;4*1-2H3
InChIKeyLOQYFRUKBUUWRF-UHFFFAOYSA-N
MW285.56 g/mol
LogP6.61
Rot. Bonds2

About ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine

ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine (PubChem CID 143272816) has the molecular formula C19H43N and a molecular weight of 285.56 g/mol. Its IUPAC name is ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine.

Molecular Properties

Compound Nameethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine
PubChem CID143272816
Molecular FormulaC19H43N
Molecular Weight285.56 g/mol
Exact Mass285.34
IUPAC Nameethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine
SMILESC=CC1=C(C)CC(C)(C)C1NC.CC.CC.CC.CC
InChIInChI=1S/C11H19N.4C2H6/c1-6-9-8(2)7-11(3,4)10(9)12-5;4*1-2/h6,10,12H,1,7H2,2-5H3;4*1-2H3
InChIKeyLOQYFRUKBUUWRF-UHFFFAOYSA-N
XLogP6.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.56
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine?
The IUPAC name of ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine (CID 143272816) is ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine.
What is the SMILES notation for ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine?
The canonical SMILES for ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine is C=CC1=C(C)CC(C)(C)C1NC.CC.CC.CC.CC.
What is the InChIKey of ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine?
The InChIKey is LOQYFRUKBUUWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.4C2H6/c1-6-9-8(2)7-11(3,4)10(9)12-5;4*1-2/h6,10,12H,1,7H2,2-5H3;4*1-2H3.
What are the key properties of ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine?
ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine has a molecular weight of 285.56 g/mol, XLogP of 6.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine is sourced from PubChem (CID 143272816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).