(Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine

C20H39N — CID 123714871

IUPAC(Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine
SMILESCCCC(C)C(=C(\C)C(CC)CC)/C(=N/C)C(CC)CC
InChIInChI=1S/C20H39N/c1-9-14-15(6)19(16(7)17(10-2)11-3)20(21-8)18(12-4)13-5/h15,17-18H,9-14H2,1-8H3/b19-16-,21-20+
InChIKeyOJRFUCOKNAMRIT-RGWYIFMJSA-N
MW293.54 g/mol
LogP6.68
Rot. Bonds10

About (Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine

(Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine (PubChem CID 123714871) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is (Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine.

Molecular Properties

Compound Name(Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine
PubChem CID123714871
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name(Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine
SMILESCCCC(C)C(=C(\C)C(CC)CC)/C(=N/C)C(CC)CC
InChIInChI=1S/C20H39N/c1-9-14-15(6)19(16(7)17(10-2)11-3)20(21-8)18(12-4)13-5/h15,17-18H,9-14H2,1-8H3/b19-16-,21-20+
InChIKeyOJRFUCOKNAMRIT-RGWYIFMJSA-N
XLogP6.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
N-methyl-3,4-di(propan-2-yl)cyclohex-3-en-1-imine
CID 20631047
2,2,4-Trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine
CID 59435223
3-ethylidene-N,5-dimethylheptan-2-imine
CID 123215732
(E)-3,5-dimethyl-N-propylundec-2-en-4-imine
CID 123347173
(Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine
CID 123350713
N,3,7-trimethylcyclohept-2-en-1-imine
CID 123422604
(Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine
CID 123488300
N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine
CID 123517936
(Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine
CID 123539646
N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine
CID 123713869
(2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine
CID 123809633

Frequently Asked Questions

What is the IUPAC name of (Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine?
The IUPAC name of (Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine (CID 123714871) is (Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine.
What is the SMILES notation for (Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine?
The canonical SMILES for (Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine is CCCC(C)C(=C(\C)C(CC)CC)/C(=N/C)C(CC)CC.
What is the InChIKey of (Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine?
The InChIKey is OJRFUCOKNAMRIT-RGWYIFMJSA-N. The full InChI is InChI=1S/C20H39N/c1-9-14-15(6)19(16(7)17(10-2)11-3)20(21-8)18(12-4)13-5/h15,17-18H,9-14H2,1-8H3/b19-16-,21-20+.
What are the key properties of (Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine?
(Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine has a molecular weight of 293.54 g/mol, XLogP of 6.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine is sourced from PubChem (CID 123714871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).