(3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine

C18H29NO — CID 129236489

IUPAC(3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine
SMILESC=C(C)CC(=C/C=C\C)/C(CC)=C(\N)C(=C)OCCC
InChIInChI=1S/C18H29NO/c1-7-10-11-16(13-14(4)5)17(9-3)18(19)15(6)20-12-8-2/h7,10-11H,4,6,8-9,12-13,19H2,1-3,5H3/b10-7-,16-11-,18-17-
InChIKeyFKCLXRLXJQKVMD-JZKPBWGESA-N
MW275.44 g/mol
LogP5.02
Rot. Bonds9

About (3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine

(3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine (PubChem CID 129236489) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine
PubChem CID129236489
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine
SMILESC=C(C)CC(=C/C=C\C)/C(CC)=C(\N)C(=C)OCCC
InChIInChI=1S/C18H29NO/c1-7-10-11-16(13-14(4)5)17(9-3)18(19)15(6)20-12-8-2/h7,10-11H,4,6,8-9,12-13,19H2,1-3,5H3/b10-7-,16-11-,18-17-
InChIKeyFKCLXRLXJQKVMD-JZKPBWGESA-N
XLogP5.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine?
The IUPAC name of (3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine (CID 129236489) is (3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine.
What is the SMILES notation for (3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine?
The canonical SMILES for (3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine is C=C(C)CC(=C/C=C\C)/C(CC)=C(\N)C(=C)OCCC.
What is the InChIKey of (3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine?
The InChIKey is FKCLXRLXJQKVMD-JZKPBWGESA-N. The full InChI is InChI=1S/C18H29NO/c1-7-10-11-16(13-14(4)5)17(9-3)18(19)15(6)20-12-8-2/h7,10-11H,4,6,8-9,12-13,19H2,1-3,5H3/b10-7-,16-11-,18-17-.
What are the key properties of (3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine?
(3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine has a molecular weight of 275.44 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine is sourced from PubChem (CID 129236489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).