butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine

C23H43N — CID 145242402

IUPACbutane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine
SMILESC=CC(=C(C)CC1(C)CC1)C(/C=C\C)=N/C(C)C.CC.CCCC
InChIInChI=1S/C17H27N.C4H10.C2H6/c1-7-9-16(18-13(3)4)15(8-2)14(5)12-17(6)10-11-17;1-3-4-2;1-2/h7-9,13H,2,10-12H2,1,3-6H3;3-4H2,1-2H3;1-2H3/b9-7-,15-14-,18-16+;;
InChIKeyYTQVWMOIPSBUCN-OXSYFNGOSA-N
MW333.60 g/mol
LogP7.94
Rot. Bonds7

About butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine

butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine (PubChem CID 145242402) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine.

Molecular Properties

Compound Namebutane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine
PubChem CID145242402
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC Namebutane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine
SMILESC=CC(=C(C)CC1(C)CC1)C(/C=C\C)=N/C(C)C.CC.CCCC
InChIInChI=1S/C17H27N.C4H10.C2H6/c1-7-9-16(18-13(3)4)15(8-2)14(5)12-17(6)10-11-17;1-3-4-2;1-2/h7-9,13H,2,10-12H2,1,3-6H3;3-4H2,1-2H3;1-2H3/b9-7-,15-14-,18-16+;;
InChIKeyYTQVWMOIPSBUCN-OXSYFNGOSA-N
XLogP7.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 57.94
H-Bond Donors ≤ 50
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

(2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine
CID 166646201
(6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine
CID 176962375
(3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine
CID 123382625
(3E,4E,7Z)-3-ethylidene-5,8-dimethyl-N-(4-methylhexyl)-6-methylideneundeca-4,7,9-trien-2-imine
CID 123541988
(4Z,8Z,10Z)-N,2,2,5,7,10-hexamethyldodeca-4,8,10-trien-3-imine
CID 126727781
(7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine
CID 130314997
(E)-N,5-bis(ethenyl)-2,2,6,6-tetramethylnon-4-en-3-imine
CID 132061392
(6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine
CID 134266799
N-[(3E,5E)-3-[(Z)-but-1-enyl]hepta-3,5-dien-2-yl]-4-methylheptan-3-imine
CID 134478054
(6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine
CID 138615836
(5Z)-2-cyclohepta-1,3,6-trien-1-yl-N,2,7-trimethyl-4-methylideneocta-5,7-dien-3-imine;ethane
CID 141810876
(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane
CID 142374781

Frequently Asked Questions

What is the IUPAC name of butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine?
The IUPAC name of butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine (CID 145242402) is butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine.
What is the SMILES notation for butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine?
The canonical SMILES for butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine is C=CC(=C(C)CC1(C)CC1)C(/C=C\C)=N/C(C)C.CC.CCCC.
What is the InChIKey of butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine?
The InChIKey is YTQVWMOIPSBUCN-OXSYFNGOSA-N. The full InChI is InChI=1S/C17H27N.C4H10.C2H6/c1-7-9-16(18-13(3)4)15(8-2)14(5)12-17(6)10-11-17;1-3-4-2;1-2/h7-9,13H,2,10-12H2,1,3-6H3;3-4H2,1-2H3;1-2H3/b9-7-,15-14-,18-16+;;.
What are the key properties of butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine?
butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine has a molecular weight of 333.60 g/mol, XLogP of 7.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;(3Z,5Z)-3-[1-(1-methylcyclopropyl)propan-2-ylidene]-N-propan-2-ylhepta-1,5-dien-4-imine is sourced from PubChem (CID 145242402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).