N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine

C11H19N — CID 139528192

IUPACN-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine
SMILESC/C=C\C=C(/N=C/C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-6-8-9-10(12-7-2)11(3,4)5/h6-9H,1-5H3/b8-6-,10-9-,12-7+
InChIKeyHRRCMDGIZYNAEB-JJPALDQISA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds2

About N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine

N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine (PubChem CID 139528192) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine
PubChem CID139528192
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine
SMILESC/C=C\C=C(/N=C/C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-6-8-9-10(12-7-2)11(3,4)5/h6-9H,1-5H3/b8-6-,10-9-,12-7+
InChIKeyHRRCMDGIZYNAEB-JJPALDQISA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine?
The IUPAC name of N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine (CID 139528192) is N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine.
What is the SMILES notation for N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine?
The canonical SMILES for N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine is C/C=C\C=C(/N=C/C)C(C)(C)C.
What is the InChIKey of N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine?
The InChIKey is HRRCMDGIZYNAEB-JJPALDQISA-N. The full InChI is InChI=1S/C11H19N/c1-6-8-9-10(12-7-2)11(3,4)5/h6-9H,1-5H3/b8-6-,10-9-,12-7+.
What are the key properties of N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine?
N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]ethanimine is sourced from PubChem (CID 139528192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).