N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine

C14H25N — CID 91553754

IUPACN-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine
SMILESC=C(/N=C/CC)C(C)=CC(C)C(C)CC
InChIInChI=1S/C14H25N/c1-7-9-15-14(6)13(5)10-12(4)11(3)8-2/h9-12H,6-8H2,1-5H3/b13-10?,15-9+
InChIKeyYHUZLVPIKKXCGK-MSWWUYRUSA-N
MW207.36 g/mol
LogP4.61
Rot. Bonds6

About N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine

N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine (PubChem CID 91553754) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine.

Molecular Properties

Compound NameN-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine
PubChem CID91553754
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine
SMILESC=C(/N=C/CC)C(C)=CC(C)C(C)CC
InChIInChI=1S/C14H25N/c1-7-9-15-14(6)13(5)10-12(4)11(3)8-2/h9-12H,6-8H2,1-5H3/b13-10?,15-9+
InChIKeyYHUZLVPIKKXCGK-MSWWUYRUSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine?
The IUPAC name of N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine (CID 91553754) is N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine.
What is the SMILES notation for N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine?
The canonical SMILES for N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine is C=C(/N=C/CC)C(C)=CC(C)C(C)CC.
What is the InChIKey of N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine?
The InChIKey is YHUZLVPIKKXCGK-MSWWUYRUSA-N. The full InChI is InChI=1S/C14H25N/c1-7-9-15-14(6)13(5)10-12(4)11(3)8-2/h9-12H,6-8H2,1-5H3/b13-10?,15-9+.
What are the key properties of N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine?
N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine is sourced from PubChem (CID 91553754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).