N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine

C10H18N2 — CID 130378567

IUPACN-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine
SMILESC/C=N/C=C(\N=C\C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-11-8-9(12-7-2)10(3,4)5/h6-8H,1-5H3/b9-8-,11-6+,12-7+
InChIKeyKCSMHPATNIZEHJ-WPCHRYQWSA-N
MW166.27 g/mol
LogP3.06
Rot. Bonds2

About N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine

N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine (PubChem CID 130378567) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine
PubChem CID130378567
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine
SMILESC/C=N/C=C(\N=C\C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-11-8-9(12-7-2)10(3,4)5/h6-8H,1-5H3/b9-8-,11-6+,12-7+
InChIKeyKCSMHPATNIZEHJ-WPCHRYQWSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine (CID 130378567) is N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine is C/C=N/C=C(\N=C\C)C(C)(C)C.
What is the InChIKey of N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine?
The InChIKey is KCSMHPATNIZEHJ-WPCHRYQWSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-11-8-9(12-7-2)10(3,4)5/h6-8H,1-5H3/b9-8-,11-6+,12-7+.
What are the key properties of N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine?
N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine has a molecular weight of 166.27 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine is sourced from PubChem (CID 130378567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).