(2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide

C16H24N2O — CID 89144825

IUPAC(2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide
SMILESC=C/C(C)=C\[C@@H](C)/C(=C\C)C(N)C(=C)/C=C\C(N)=O
InChIInChI=1S/C16H24N2O/c1-6-11(3)10-13(5)14(7-2)16(18)12(4)8-9-15(17)19/h6-10,13,16H,1,4,18H2,2-3,5H3,(H2,17,19)/b9-8-,11-10-,14-7+/t13-,16?/m1/s1
InChIKeyCCPAASMWFLOFTM-QRLNTXGWSA-N
MW260.38 g/mol
LogP2.63
Rot. Bonds7

About (2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide

(2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide (PubChem CID 89144825) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide.

Molecular Properties

Compound Name(2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide
PubChem CID89144825
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide
SMILESC=C/C(C)=C\[C@@H](C)/C(=C\C)C(N)C(=C)/C=C\C(N)=O
InChIInChI=1S/C16H24N2O/c1-6-11(3)10-13(5)14(7-2)16(18)12(4)8-9-15(17)19/h6-10,13,16H,1,4,18H2,2-3,5H3,(H2,17,19)/b9-8-,11-10-,14-7+/t13-,16?/m1/s1
InChIKeyCCPAASMWFLOFTM-QRLNTXGWSA-N
XLogP2.63
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 139630124
4-aminopent-2-enamide
CID 90746791
N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide
CID 174642702
acetic acid;(3Z)-4-aminohexa-1,3,5-trien-3-ol
CID 142913066
(3Z)-5-bromo-3-methylhexa-1,3-diene;ethene
CID 143243230
dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide
CID 19070332
ethene-1,1-diol;prop-2-enamide
CID 174658864
methanamine;prop-2-enamide;hydrate
CID 174696935
but-3-en-2-one;3-methylbut-3-en-2-one;prop-1-ene
CID 160787956
4-methylhepta-2,5-dienediamide
CID 54037507

Frequently Asked Questions

What is the IUPAC name of (2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide?
The IUPAC name of (2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide (CID 89144825) is (2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide.
What is the SMILES notation for (2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide?
The canonical SMILES for (2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide is C=C/C(C)=C\[C@@H](C)/C(=C\C)C(N)C(=C)/C=C\C(N)=O.
What is the InChIKey of (2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide?
The InChIKey is CCPAASMWFLOFTM-QRLNTXGWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-6-11(3)10-13(5)14(7-2)16(18)12(4)8-9-15(17)19/h6-10,13,16H,1,4,18H2,2-3,5H3,(H2,17,19)/b9-8-,11-10-,14-7+/t13-,16?/m1/s1.
What are the key properties of (2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide?
(2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide has a molecular weight of 260.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide is sourced from PubChem (CID 89144825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).