(Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine

C13H26N2 — CID 171505896

IUPAC(Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine
SMILESCCCC(CC)/N=C(C(/C)=C\N)\C(C)C
InChIInChI=1S/C13H26N2/c1-6-8-12(7-2)15-13(10(3)4)11(5)9-14/h9-10,12H,6-8,14H2,1-5H3/b11-9-,15-13+
InChIKeyIFIYVLPOCNVUNN-NPEMSZEQSA-N
MW210.36 g/mol
LogP3.52
Rot. Bonds6

About (Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine

(Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine (PubChem CID 171505896) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine
PubChem CID171505896
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine
SMILESCCCC(CC)/N=C(C(/C)=C\N)\C(C)C
InChIInChI=1S/C13H26N2/c1-6-8-12(7-2)15-13(10(3)4)11(5)9-14/h9-10,12H,6-8,14H2,1-5H3/b11-9-,15-13+
InChIKeyIFIYVLPOCNVUNN-NPEMSZEQSA-N
XLogP3.52
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.52
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 (Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine?
The IUPAC name of (Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine (CID 171505896) is (Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine.
What is the SMILES notation for (Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine?
The canonical SMILES for (Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine is CCCC(CC)/N=C(C(/C)=C\N)\C(C)C.
What is the InChIKey of (Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine?
The InChIKey is IFIYVLPOCNVUNN-NPEMSZEQSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-8-12(7-2)15-13(10(3)4)11(5)9-14/h9-10,12H,6-8,14H2,1-5H3/b11-9-,15-13+.
What are the key properties of (Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine?
(Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine has a molecular weight of 210.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hexan-3-ylimino-2,4-dimethylpent-1-en-1-amine is sourced from PubChem (CID 171505896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).