N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine

C15H27N — CID 126591235

IUPACN-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine
SMILESC/C=C\C(CC)C(C=C(C)C)/N=C(\C)CC
InChIInChI=1S/C15H27N/c1-7-10-14(9-3)15(11-12(4)5)16-13(6)8-2/h7,10-11,14-15H,8-9H2,1-6H3/b10-7-,16-13+
InChIKeyYPZBFFUWLJOXRR-YTLDOUCOSA-N
MW221.39 g/mol
LogP4.79
Rot. Bonds6

About N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine

N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine (PubChem CID 126591235) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine.

Molecular Properties

Compound NameN-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine
PubChem CID126591235
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine
SMILESC/C=C\C(CC)C(C=C(C)C)/N=C(\C)CC
InChIInChI=1S/C15H27N/c1-7-10-14(9-3)15(11-12(4)5)16-13(6)8-2/h7,10-11,14-15H,8-9H2,1-6H3/b10-7-,16-13+
InChIKeyYPZBFFUWLJOXRR-YTLDOUCOSA-N
XLogP4.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.79
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 N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine?
The IUPAC name of N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine (CID 126591235) is N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine.
What is the SMILES notation for N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine?
The canonical SMILES for N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine is C/C=C\C(CC)C(C=C(C)C)/N=C(\C)CC.
What is the InChIKey of N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine?
The InChIKey is YPZBFFUWLJOXRR-YTLDOUCOSA-N. The full InChI is InChI=1S/C15H27N/c1-7-10-14(9-3)15(11-12(4)5)16-13(6)8-2/h7,10-11,14-15H,8-9H2,1-6H3/b10-7-,16-13+.
What are the key properties of N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine?
N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine has a molecular weight of 221.39 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6Z)-5-ethyl-2-methylocta-2,6-dien-4-yl]butan-2-imine is sourced from PubChem (CID 126591235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).