(2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine

C17H25N — CID 142101563

IUPAC(2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine
SMILESC=C/C=C(\C=C/C(C)C)C(C=C)=C/C=C(\C)NC
InChIInChI=1S/C17H25N/c1-7-9-17(12-10-14(3)4)16(8-2)13-11-15(5)18-6/h7-14,18H,1-2H2,3-6H3/b12-10-,15-11+,16-13+,17-9+
InChIKeyUXOISTTWRWEBSN-NSPBRJMTSA-N
MW243.39 g/mol
LogP4.55
Rot. Bonds7

About (2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine

(2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine (PubChem CID 142101563) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine.

Molecular Properties

Compound Name(2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine
PubChem CID142101563
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine
SMILESC=C/C=C(\C=C/C(C)C)C(C=C)=C/C=C(\C)NC
InChIInChI=1S/C17H25N/c1-7-9-17(12-10-14(3)4)16(8-2)13-11-15(5)18-6/h7-14,18H,1-2H2,3-6H3/b12-10-,15-11+,16-13+,17-9+
InChIKeyUXOISTTWRWEBSN-NSPBRJMTSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine with MolForge

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Related Compounds

(2E,4Z)-2-ethenyl-5-(methylamino)hexa-2,4-dienoic acid
CID 166647606
(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
CID 126583961
N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine
CID 142228722
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol
CID 130246527
(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
CID 174021215
4-methyl-N-prop-2-enoylpent-2-enamide
CID 140774476
ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide
CID 143734508
ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine
CID 156743916
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
(4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene
CID 142216572
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine?
The IUPAC name of (2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine (CID 142101563) is (2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine.
What is the SMILES notation for (2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine?
The canonical SMILES for (2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine is C=C/C=C(\C=C/C(C)C)C(C=C)=C/C=C(\C)NC.
What is the InChIKey of (2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine?
The InChIKey is UXOISTTWRWEBSN-NSPBRJMTSA-N. The full InChI is InChI=1S/C17H25N/c1-7-9-17(12-10-14(3)4)16(8-2)13-11-15(5)18-6/h7-14,18H,1-2H2,3-6H3/b12-10-,15-11+,16-13+,17-9+.
What are the key properties of (2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine?
(2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine has a molecular weight of 243.39 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine is sourced from PubChem (CID 142101563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).