(Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine

C20H37NO — CID 134513454

IUPAC(Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine
SMILES[H]/N=C(\C=C/C)[C@@](C)(CC)C(C)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H37NO/c1-8-10-18(21)20(7,9-2)15(3)22-17-13-11-16(12-14-17)19(4,5)6/h8,10,15-17,21H,9,11-14H2,1-7H3/b10-8-,21-18+/t15?,16?,17?,20-/m0/s1
InChIKeyKENBSUUTZBHDKB-HEVCZCIRSA-N
MW307.52 g/mol
LogP6.01
Rot. Bonds6

About (Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine

(Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine (PubChem CID 134513454) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine.

Molecular Properties

Compound Name(Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine
PubChem CID134513454
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine
SMILES[H]/N=C(\C=C/C)[C@@](C)(CC)C(C)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H37NO/c1-8-10-18(21)20(7,9-2)15(3)22-17-13-11-16(12-14-17)19(4,5)6/h8,10,15-17,21H,9,11-14H2,1-7H3/b10-8-,21-18+/t15?,16?,17?,20-/m0/s1
InChIKeyKENBSUUTZBHDKB-HEVCZCIRSA-N
XLogP6.01
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine?
The IUPAC name of (Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine (CID 134513454) is (Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine.
What is the SMILES notation for (Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine?
The canonical SMILES for (Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine is [H]/N=C(\C=C/C)[C@@](C)(CC)C(C)OC1CCC(C(C)(C)C)CC1.
What is the InChIKey of (Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine?
The InChIKey is KENBSUUTZBHDKB-HEVCZCIRSA-N. The full InChI is InChI=1S/C20H37NO/c1-8-10-18(21)20(7,9-2)15(3)22-17-13-11-16(12-14-17)19(4,5)6/h8,10,15-17,21H,9,11-14H2,1-7H3/b10-8-,21-18+/t15?,16?,17?,20-/m0/s1.
What are the key properties of (Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine?
(Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine has a molecular weight of 307.52 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine is sourced from PubChem (CID 134513454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).