3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine

C14H25N — CID 143912731

IUPAC3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine
SMILESC/C=C/C[C@H](C)/C=C(C)/N=C(\C)C(C)C
InChIInChI=1S/C14H25N/c1-7-8-9-12(4)10-13(5)15-14(6)11(2)3/h7-8,10-12H,9H2,1-6H3/b8-7+,13-10+,15-14+/t12-/m0/s1
InChIKeyRUKJSUJCNNJRBX-CMAJFGKHSA-N
MW207.36 g/mol
LogP4.61
Rot. Bonds5

About 3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine

3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine (PubChem CID 143912731) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine
PubChem CID143912731
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine
SMILESC/C=C/C[C@H](C)/C=C(C)/N=C(\C)C(C)C
InChIInChI=1S/C14H25N/c1-7-8-9-12(4)10-13(5)15-14(6)11(2)3/h7-8,10-12H,9H2,1-6H3/b8-7+,13-10+,15-14+/t12-/m0/s1
InChIKeyRUKJSUJCNNJRBX-CMAJFGKHSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine?
The IUPAC name of 3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine (CID 143912731) is 3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine.
What is the SMILES notation for 3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine?
The canonical SMILES for 3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine is C/C=C/C[C@H](C)/C=C(C)/N=C(\C)C(C)C.
What is the InChIKey of 3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine?
The InChIKey is RUKJSUJCNNJRBX-CMAJFGKHSA-N. The full InChI is InChI=1S/C14H25N/c1-7-8-9-12(4)10-13(5)15-14(6)11(2)3/h7-8,10-12H,9H2,1-6H3/b8-7+,13-10+,15-14+/t12-/m0/s1.
What are the key properties of 3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine?
3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine has a molecular weight of 207.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine is sourced from PubChem (CID 143912731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).