N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine

C12H22N2 — CID 176961413

IUPACN-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine
SMILESC=C(/N=C\C=C(/C)C(C)C)NC(C)C
InChIInChI=1S/C12H22N2/c1-9(2)11(5)7-8-13-12(6)14-10(3)4/h7-10,14H,6H2,1-5H3/b11-7+,13-8-
InChIKeyAFZWWVLRJZBXIT-NVGJIZNYSA-N
MW194.32 g/mol
LogP3.13
Rot. Bonds5

About N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine

N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine (PubChem CID 176961413) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine
PubChem CID176961413
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine
SMILESC=C(/N=C\C=C(/C)C(C)C)NC(C)C
InChIInChI=1S/C12H22N2/c1-9(2)11(5)7-8-13-12(6)14-10(3)4/h7-10,14H,6H2,1-5H3/b11-7+,13-8-
InChIKeyAFZWWVLRJZBXIT-NVGJIZNYSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
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-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine?
The IUPAC name of N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine (CID 176961413) is N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine.
What is the SMILES notation for N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine?
The canonical SMILES for N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine is C=C(/N=C\C=C(/C)C(C)C)NC(C)C.
What is the InChIKey of N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine?
The InChIKey is AFZWWVLRJZBXIT-NVGJIZNYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)11(5)7-8-13-12(6)14-10(3)4/h7-10,14H,6H2,1-5H3/b11-7+,13-8-.
What are the key properties of N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine?
N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine has a molecular weight of 194.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]ethenyl]propan-2-amine is sourced from PubChem (CID 176961413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).