(2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide

C18H30N2O — CID 143721778

IUPAC(2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide
SMILESC/C=C\C=C/C(C)=C(/C)C(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C18H30N2O/c1-4-5-7-10-15(2)16(3)17(21)20-14-18(13-19)11-8-6-9-12-18/h4-5,7,10H,6,8-9,11-14,19H2,1-3H3,(H,20,21)/b5-4-,10-7-,16-15-
InChIKeyCXENBXJTZDIQAO-JZYLHMLESA-N
MW290.45 g/mol
LogP3.48
Rot. Bonds6

About (2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide

(2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide (PubChem CID 143721778) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide.

Molecular Properties

Compound Name(2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide
PubChem CID143721778
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide
SMILESC/C=C\C=C/C(C)=C(/C)C(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C18H30N2O/c1-4-5-7-10-15(2)16(3)17(21)20-14-18(13-19)11-8-6-9-12-18/h4-5,7,10H,6,8-9,11-14,19H2,1-3H3,(H,20,21)/b5-4-,10-7-,16-15-
InChIKeyCXENBXJTZDIQAO-JZYLHMLESA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide?
The IUPAC name of (2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide (CID 143721778) is (2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide.
What is the SMILES notation for (2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide?
The canonical SMILES for (2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide is C/C=C\C=C/C(C)=C(/C)C(=O)NCC1(CN)CCCCC1.
What is the InChIKey of (2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide?
The InChIKey is CXENBXJTZDIQAO-JZYLHMLESA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-5-7-10-15(2)16(3)17(21)20-14-18(13-19)11-8-6-9-12-18/h4-5,7,10H,6,8-9,11-14,19H2,1-3H3,(H,20,21)/b5-4-,10-7-,16-15-.
What are the key properties of (2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide?
(2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide has a molecular weight of 290.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide is sourced from PubChem (CID 143721778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).