2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine

C15H28N2 — CID 123635606

IUPAC2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine
SMILESCCC(=CC(N)C=C(C)C)/N=C(\C)C(C)CC
InChIInChI=1S/C15H28N2/c1-7-12(5)13(6)17-15(8-2)10-14(16)9-11(3)4/h9-10,12,14H,7-8,16H2,1-6H3/b15-10?,17-13+
InChIKeyUTXZUFVATSGYAV-XESLMBOFSA-N
MW236.40 g/mol
LogP4.08
Rot. Bonds6

About 2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine

2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine (PubChem CID 123635606) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine.

Molecular Properties

Compound Name2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine
PubChem CID123635606
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine
SMILESCCC(=CC(N)C=C(C)C)/N=C(\C)C(C)CC
InChIInChI=1S/C15H28N2/c1-7-12(5)13(6)17-15(8-2)10-14(16)9-11(3)4/h9-10,12,14H,7-8,16H2,1-6H3/b15-10?,17-13+
InChIKeyUTXZUFVATSGYAV-XESLMBOFSA-N
XLogP4.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine?
The IUPAC name of 2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine (CID 123635606) is 2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine.
What is the SMILES notation for 2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine?
The canonical SMILES for 2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine is CCC(=CC(N)C=C(C)C)/N=C(\C)C(C)CC.
What is the InChIKey of 2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine?
The InChIKey is UTXZUFVATSGYAV-XESLMBOFSA-N. The full InChI is InChI=1S/C15H28N2/c1-7-12(5)13(6)17-15(8-2)10-14(16)9-11(3)4/h9-10,12,14H,7-8,16H2,1-6H3/b15-10?,17-13+.
What are the key properties of 2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine?
2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine has a molecular weight of 236.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine is sourced from PubChem (CID 123635606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).