N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine

C14H25N — CID 137392045

IUPACN-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine
SMILESC=C/C=C(\C)C(C)(CC)C(C)(CC)N=C
InChIInChI=1S/C14H25N/c1-8-11-12(4)13(5,9-2)14(6,10-3)15-7/h8,11H,1,7,9-10H2,2-6H3/b12-11+
InChIKeyGVCDGQRMFJCVJN-VAWYXSNFSA-N
MW207.36 g/mol
LogP4.40
Rot. Bonds6

About N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine

N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine (PubChem CID 137392045) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine
PubChem CID137392045
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine
SMILESC=C/C=C(\C)C(C)(CC)C(C)(CC)N=C
InChIInChI=1S/C14H25N/c1-8-11-12(4)13(5,9-2)14(6,10-3)15-7/h8,11H,1,7,9-10H2,2-6H3/b12-11+
InChIKeyGVCDGQRMFJCVJN-VAWYXSNFSA-N
XLogP4.40
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 ≤ 54.40
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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Related Compounds

N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine
CID 130341594
N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine
CID 139452636
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine
CID 146609918
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
(3Z,5E)-5-methoxy-4-(2-methylbutan-2-yl)hepta-1,3,5-triene
CID 178057179
(3Z)-3-methoxyhexa-3,5-dien-2-one;propane
CID 144684932
butane;(2E)-N-methoxypenta-2,4-dien-2-amine
CID 142050769
butane;(3E)-4-methoxypenta-1,3-diene
CID 142879851
4-ethyl-3-ethylidene-2,4-dimethylhex-1-ene
CID 123616269
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
3-ethyl-2,3,4,4-tetramethylpent-1-ene
CID 13031508

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine?
The IUPAC name of N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine (CID 137392045) is N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine.
What is the SMILES notation for N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine?
The canonical SMILES for N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine is C=C/C=C(\C)C(C)(CC)C(C)(CC)N=C.
What is the InChIKey of N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine?
The InChIKey is GVCDGQRMFJCVJN-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H25N/c1-8-11-12(4)13(5,9-2)14(6,10-3)15-7/h8,11H,1,7,9-10H2,2-6H3/b12-11+.
What are the key properties of N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine?
N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine has a molecular weight of 207.36 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine is sourced from PubChem (CID 137392045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).