(E)-N,3,3,5,5-pentamethylnon-7-en-1-imine

C14H27N — CID 142019177

IUPAC(E)-N,3,3,5,5-pentamethylnon-7-en-1-imine
SMILESC/C=C/CC(C)(C)CC(C)(C)C/C=N/C
InChIInChI=1S/C14H27N/c1-7-8-9-13(2,3)12-14(4,5)10-11-15-6/h7-8,11H,9-10,12H2,1-6H3/b8-7+,15-11+
InChIKeyNNGMNIWNKHNHBB-XHBXSBNISA-N
MW209.38 g/mol
LogP4.49
Rot. Bonds6

About (E)-N,3,3,5,5-pentamethylnon-7-en-1-imine

(E)-N,3,3,5,5-pentamethylnon-7-en-1-imine (PubChem CID 142019177) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (E)-N,3,3,5,5-pentamethylnon-7-en-1-imine.

Molecular Properties

Compound Name(E)-N,3,3,5,5-pentamethylnon-7-en-1-imine
PubChem CID142019177
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(E)-N,3,3,5,5-pentamethylnon-7-en-1-imine
SMILESC/C=C/CC(C)(C)CC(C)(C)C/C=N/C
InChIInChI=1S/C14H27N/c1-7-8-9-13(2,3)12-14(4,5)10-11-15-6/h7-8,11H,9-10,12H2,1-6H3/b8-7+,15-11+
InChIKeyNNGMNIWNKHNHBB-XHBXSBNISA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.49
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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Related Compounds

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N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide
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[(1E,6E)-4,4-dimethylocta-1,6-dienyl] propanoate
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(E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine
CID 11298915
hepta-2,5-diene;rhodium
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chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine
CID 174821902
2-ethyl-2-methylhex-4-enoic acid
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CID 126595638

Frequently Asked Questions

What is the IUPAC name of (E)-N,3,3,5,5-pentamethylnon-7-en-1-imine?
The IUPAC name of (E)-N,3,3,5,5-pentamethylnon-7-en-1-imine (CID 142019177) is (E)-N,3,3,5,5-pentamethylnon-7-en-1-imine.
What is the SMILES notation for (E)-N,3,3,5,5-pentamethylnon-7-en-1-imine?
The canonical SMILES for (E)-N,3,3,5,5-pentamethylnon-7-en-1-imine is C/C=C/CC(C)(C)CC(C)(C)C/C=N/C.
What is the InChIKey of (E)-N,3,3,5,5-pentamethylnon-7-en-1-imine?
The InChIKey is NNGMNIWNKHNHBB-XHBXSBNISA-N. The full InChI is InChI=1S/C14H27N/c1-7-8-9-13(2,3)12-14(4,5)10-11-15-6/h7-8,11H,9-10,12H2,1-6H3/b8-7+,15-11+.
What are the key properties of (E)-N,3,3,5,5-pentamethylnon-7-en-1-imine?
(E)-N,3,3,5,5-pentamethylnon-7-en-1-imine has a molecular weight of 209.38 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3,3,5,5-pentamethylnon-7-en-1-imine is sourced from PubChem (CID 142019177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).