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

C21H41N — CID 123350713

IUPAC(Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine
SMILESCCCC(C)C(=C(\C)C(CC)CC)/C(=N/C)C(CC)C(C)C
InChIInChI=1S/C21H41N/c1-10-14-16(7)20(17(8)18(11-2)12-3)21(22-9)19(13-4)15(5)6/h15-16,18-19H,10-14H2,1-9H3/b20-17-,22-21+
InChIKeySYXDHRLDYFKKFZ-JLQYDAKZSA-N
MW307.57 g/mol
LogP6.93
Rot. Bonds10

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

(Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine (PubChem CID 123350713) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is (Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine.

Molecular Properties

Compound Name(Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine
PubChem CID123350713
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name(Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine
SMILESCCCC(C)C(=C(\C)C(CC)CC)/C(=N/C)C(CC)C(C)C
InChIInChI=1S/C21H41N/c1-10-14-16(7)20(17(8)18(11-2)12-3)21(22-9)19(13-4)15(5)6/h15-16,18-19H,10-14H2,1-9H3/b20-17-,22-21+
InChIKeySYXDHRLDYFKKFZ-JLQYDAKZSA-N
XLogP6.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 56.93
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
3,4,5-trimethyl-2-(3-methylpentan-2-yl)-3H-pyrrole
CID 90310491
(E)-3,5-dimethyl-N-propylundec-2-en-4-imine
CID 123347173
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-methyl-4-octan-4-ylcyclohept-2-en-1-imine
CID 123494760
(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
(Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine
CID 123714871
2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine
CID 123724075
(6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine
CID 123750431

Frequently Asked Questions

What is the IUPAC name of (Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine?
The IUPAC name of (Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine (CID 123350713) is (Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine.
What is the SMILES notation for (Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine?
The canonical SMILES for (Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine is CCCC(C)C(=C(\C)C(CC)CC)/C(=N/C)C(CC)C(C)C.
What is the InChIKey of (Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine?
The InChIKey is SYXDHRLDYFKKFZ-JLQYDAKZSA-N. The full InChI is InChI=1S/C21H41N/c1-10-14-16(7)20(17(8)18(11-2)12-3)21(22-9)19(13-4)15(5)6/h15-16,18-19H,10-14H2,1-9H3/b20-17-,22-21+.
What are the key properties of (Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine?
(Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine has a molecular weight of 307.57 g/mol, XLogP of 6.93, 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,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine is sourced from PubChem (CID 123350713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).