ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen

C19H42N2 — CID 142068129

IUPACethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen
SMILESC=C(CC)CN(C)CCC1CCCN1.CC.CC=C(C)C.[H][H]
InChIInChI=1S/C12H24N2.C5H10.C2H6.H2/c1-4-11(2)10-14(3)9-7-12-6-5-8-13-12;1-4-5(2)3;1-2;/h12-13H,2,4-10H2,1,3H3;4H,1-3H3;1-2H3;1H
InChIKeyJPZSTLGUDRHSNR-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.27
Rot. Bonds6

About ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen

ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen (PubChem CID 142068129) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen
PubChem CID142068129
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Nameethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen
SMILESC=C(CC)CN(C)CCC1CCCN1.CC.CC=C(C)C.[H][H]
InChIInChI=1S/C12H24N2.C5H10.C2H6.H2/c1-4-11(2)10-14(3)9-7-12-6-5-8-13-12;1-4-5(2)3;1-2;/h12-13H,2,4-10H2,1,3H3;4H,1-3H3;1-2H3;1H
InChIKeyJPZSTLGUDRHSNR-UHFFFAOYSA-N
XLogP5.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen?
The IUPAC name of ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen (CID 142068129) is ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen?
The canonical SMILES for ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen is C=C(CC)CN(C)CCC1CCCN1.CC.CC=C(C)C.[H][H].
What is the InChIKey of ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen?
The InChIKey is JPZSTLGUDRHSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C5H10.C2H6.H2/c1-4-11(2)10-14(3)9-7-12-6-5-8-13-12;1-4-5(2)3;1-2;/h12-13H,2,4-10H2,1,3H3;4H,1-3H3;1-2H3;1H.
What are the key properties of ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen?
ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen has a molecular weight of 298.56 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen is sourced from PubChem (CID 142068129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).