ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine

C19H33N — CID 164546966

IUPACethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine
SMILESC=C(C)C(/C=C(\C)C(=C)C)=C(/C)C(NC)=C(C)C.CC
InChIInChI=1S/C17H27N.C2H6/c1-11(2)14(7)10-16(12(3)4)15(8)17(18-9)13(5)6;1-2/h10,18H,1,3H2,2,4-9H3;1-2H3/b14-10+,16-15-;
InChIKeyADTQZGXVAIEXTK-CAMUHGCGSA-N
MW275.48 g/mol
LogP5.94
Rot. Bonds5

About ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine

ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine (PubChem CID 164546966) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine.

Molecular Properties

Compound Nameethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine
PubChem CID164546966
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Nameethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine
SMILESC=C(C)C(/C=C(\C)C(=C)C)=C(/C)C(NC)=C(C)C.CC
InChIInChI=1S/C17H27N.C2H6/c1-11(2)14(7)10-16(12(3)4)15(8)17(18-9)13(5)6;1-2/h10,18H,1,3H2,2,4-9H3;1-2H3/b14-10+,16-15-;
InChIKeyADTQZGXVAIEXTK-CAMUHGCGSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane
CID 143320084
(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363501
ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363500
(3E)-4,5-dimethylhexa-1,3,5-triene-2-thiol
CID 176921719
methyl (2E)-3,4-dimethylpenta-2,4-dienoate
CID 12685430
azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen
CID 153376220
(4E)-5-[(3Z)-4,5-dimethylhexa-1,3,5-trien-2-yl]sulfonyl-2,3-dimethylhexa-2,4-diene;ethane
CID 143236417
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
N,2-dimethylprop-2-enamide;ethane
CID 142291054
(1Z)-2,3-dimethylbuta-1,3-dien-1-ol
CID 143116210
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane
CID 143646233

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine?
The IUPAC name of ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine (CID 164546966) is ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine.
What is the SMILES notation for ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine?
The canonical SMILES for ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine is C=C(C)C(/C=C(\C)C(=C)C)=C(/C)C(NC)=C(C)C.CC.
What is the InChIKey of ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine?
The InChIKey is ADTQZGXVAIEXTK-CAMUHGCGSA-N. The full InChI is InChI=1S/C17H27N.C2H6/c1-11(2)14(7)10-16(12(3)4)15(8)17(18-9)13(5)6;1-2/h10,18H,1,3H2,2,4-9H3;1-2H3/b14-10+,16-15-;.
What are the key properties of ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine?
ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine has a molecular weight of 275.48 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine is sourced from PubChem (CID 164546966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).