(Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane

C23H47NO — CID 144660127

IUPAC(Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane
SMILESC.CNC(C/C=C\CCCC(C)OCCC1CCCCC1)CC(C)C
InChIInChI=1S/C22H43NO.CH4/c1-19(2)18-22(23-4)15-11-6-5-8-12-20(3)24-17-16-21-13-9-7-10-14-21;/h6,11,19-23H,5,7-10,12-18H2,1-4H3;1H4/b11-6-;
InChIKeyDIABQRWCPGXENV-AVHZNCSWSA-N
MW353.64 g/mol
LogP6.75
Rot. Bonds13

About (Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane

(Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane (PubChem CID 144660127) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is (Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane.

Molecular Properties

Compound Name(Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane
PubChem CID144660127
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC Name(Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane
SMILESC.CNC(C/C=C\CCCC(C)OCCC1CCCCC1)CC(C)C
InChIInChI=1S/C22H43NO.CH4/c1-19(2)18-22(23-4)15-11-6-5-8-12-20(3)24-17-16-21-13-9-7-10-14-21;/h6,11,19-23H,5,7-10,12-18H2,1-4H3;1H4/b11-6-;
InChIKeyDIABQRWCPGXENV-AVHZNCSWSA-N
XLogP6.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane with MolForge

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Related Compounds

N-methyl-3-[[(9Z,12Z)-octadeca-9,12-dienoxy]methyl]dodecan-1-amine
CID 87174254
N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine
CID 88890815
4-(1-Octadec-12-enoxyethyl)piperidine
CID 123375311
3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine
CID 126611599
6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine
CID 131967759
N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine
CID 134388069
N,3-dimethyl-4-[(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraen-19-yl]oxybutan-1-amine
CID 134388259
N-methyl-1-(10-methylheptadec-1-en-2-yloxy)butan-1-amine;nonadeca-1,10-diene;propane
CID 145365450
N-methyl-3-[[(Z)-octadec-9-enoxy]methyl]tridecan-1-amine
CID 170097284
(E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine
CID 170265770
4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylpentan-1-amine
CID 62456281
N-(cyclohex-3-en-1-ylmethyl)-2-propyloxan-4-amine
CID 64102069

Frequently Asked Questions

What is the IUPAC name of (Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane?
The IUPAC name of (Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane (CID 144660127) is (Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane.
What is the SMILES notation for (Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane?
The canonical SMILES for (Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane is C.CNC(C/C=C\CCCC(C)OCCC1CCCCC1)CC(C)C.
What is the InChIKey of (Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane?
The InChIKey is DIABQRWCPGXENV-AVHZNCSWSA-N. The full InChI is InChI=1S/C22H43NO.CH4/c1-19(2)18-22(23-4)15-11-6-5-8-12-20(3)24-17-16-21-13-9-7-10-14-21;/h6,11,19-23H,5,7-10,12-18H2,1-4H3;1H4/b11-6-;.
What are the key properties of (Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane?
(Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane has a molecular weight of 353.64 g/mol, XLogP of 6.75, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane is sourced from PubChem (CID 144660127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).