but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne)

C30H65N — CID 144526781

IUPACbut-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne)
SMILESC#CC.C#CC.C/C=C\C(CC)C(C)C.C=C.CC.CC.CC=CC.CCC.CCN
InChIInChI=1S/C9H18.C4H8.C3H8.2C3H4.C2H7N.2C2H6.C2H4/c1-5-7-9(6-2)8(3)4;1-3-4-2;3*1-3-2;1-2-3;3*1-2/h5,7-9H,6H2,1-4H3;3-4H,1-2H3;3H2,1-2H3;2*1H,2H3;2-3H2,1H3;2*1-2H3;1-2H2/b7-5-;;;;;;;;
InChIKeyKXPGGBVISDMQPB-AYAXBNLBSA-N
MW439.86 g/mol
LogP10.34
Rot. Bonds3

About but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne)

but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne) (PubChem CID 144526781) has the molecular formula C30H65N and a molecular weight of 439.86 g/mol. Its IUPAC name is but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne).

Molecular Properties

Compound Namebut-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne)
PubChem CID144526781
Molecular FormulaC30H65N
Molecular Weight439.86 g/mol
Exact Mass439.51
IUPAC Namebut-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne)
SMILESC#CC.C#CC.C/C=C\C(CC)C(C)C.C=C.CC.CC.CC=CC.CCC.CCN
InChIInChI=1S/C9H18.C4H8.C3H8.2C3H4.C2H7N.2C2H6.C2H4/c1-5-7-9(6-2)8(3)4;1-3-4-2;3*1-3-2;1-2-3;3*1-2/h5,7-9H,6H2,1-4H3;3-4H,1-2H3;3H2,1-2H3;2*1H,2H3;2-3H2,1H3;2*1-2H3;1-2H2/b7-5-;;;;;;;;
InChIKeyKXPGGBVISDMQPB-AYAXBNLBSA-N
XLogP10.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.86
LogP ≤ 510.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne)?
The IUPAC name of but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne) (CID 144526781) is but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne).
What is the SMILES notation for but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne)?
The canonical SMILES for but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne) is C#CC.C#CC.C/C=C\C(CC)C(C)C.C=C.CC.CC.CC=CC.CCC.CCN.
What is the InChIKey of but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne)?
The InChIKey is KXPGGBVISDMQPB-AYAXBNLBSA-N. The full InChI is InChI=1S/C9H18.C4H8.C3H8.2C3H4.C2H7N.2C2H6.C2H4/c1-5-7-9(6-2)8(3)4;1-3-4-2;3*1-3-2;1-2-3;3*1-2/h5,7-9H,6H2,1-4H3;3-4H,1-2H3;3H2,1-2H3;2*1H,2H3;2-3H2,1H3;2*1-2H3;1-2H2/b7-5-;;;;;;;;.
What are the key properties of but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne)?
but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne) has a molecular weight of 439.86 g/mol, XLogP of 10.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;ethanamine;ethane;ethene;(Z)-4-ethyl-5-methylhex-2-ene;propane;bis(prop-1-yne) is sourced from PubChem (CID 144526781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).