ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine

C11H23N — CID 178156046

IUPACethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
SMILESC.CC.[H]/N=C/C(=C\C=C)C(C)C
InChIInChI=1S/C8H13N.C2H6.CH4/c1-4-5-8(6-9)7(2)3;1-2;/h4-7,9H,1H2,2-3H3;1-2H3;1H4/b8-5+,9-6+;;
InChIKeyKRKUNOAFTPYAHG-MLHUQVQXSA-N
MW169.31 g/mol
LogP4.07
Rot. Bonds3

About ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine

ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine (PubChem CID 178156046) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
PubChem CID178156046
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
SMILESC.CC.[H]/N=C/C(=C\C=C)C(C)C
InChIInChI=1S/C8H13N.C2H6.CH4/c1-4-5-8(6-9)7(2)3;1-2;/h4-7,9H,1H2,2-3H3;1-2H3;1H4/b8-5+,9-6+;;
InChIKeyKRKUNOAFTPYAHG-MLHUQVQXSA-N
XLogP4.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
(4Z)-4-methanimidoyl-3-[1-(methylamino)ethyl]hepta-4,6-dienal
CID 143177478
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane
CID 167471626
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
CID 167471627
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
CID 144786516
(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine
CID 166837090
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine?
The IUPAC name of ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine (CID 178156046) is ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine.
What is the SMILES notation for ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine?
The canonical SMILES for ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine is C.CC.[H]/N=C/C(=C\C=C)C(C)C.
What is the InChIKey of ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine?
The InChIKey is KRKUNOAFTPYAHG-MLHUQVQXSA-N. The full InChI is InChI=1S/C8H13N.C2H6.CH4/c1-4-5-8(6-9)7(2)3;1-2;/h4-7,9H,1H2,2-3H3;1-2H3;1H4/b8-5+,9-6+;;.
What are the key properties of ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine?
ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine has a molecular weight of 169.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine is sourced from PubChem (CID 178156046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).