(7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine

C14H26IN — CID 146336875

IUPAC(7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine
SMILESC/C=C\C=C/CC(CC)CCC(I)CNC
InChIInChI=1S/C14H26IN/c1-4-6-7-8-9-13(5-2)10-11-14(15)12-16-3/h4,6-8,13-14,16H,5,9-12H2,1-3H3/b6-4-,8-7-
InChIKeyCSWPIOUWZKVGHG-MOIRPGTBSA-N
MW335.27 g/mol
LogP4.34
Rot. Bonds9

About (7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine

(7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine (PubChem CID 146336875) has the molecular formula C14H26IN and a molecular weight of 335.27 g/mol. Its IUPAC name is (7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine.

Molecular Properties

Compound Name(7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine
PubChem CID146336875
Molecular FormulaC14H26IN
Molecular Weight335.27 g/mol
Exact Mass335.11
IUPAC Name(7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine
SMILESC/C=C\C=C/CC(CC)CCC(I)CNC
InChIInChI=1S/C14H26IN/c1-4-6-7-8-9-13(5-2)10-11-14(15)12-16-3/h4,6-8,13-14,16H,5,9-12H2,1-3H3/b6-4-,8-7-
InChIKeyCSWPIOUWZKVGHG-MOIRPGTBSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine?
The IUPAC name of (7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine (CID 146336875) is (7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine.
What is the SMILES notation for (7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine?
The canonical SMILES for (7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine is C/C=C\C=C/CC(CC)CCC(I)CNC.
What is the InChIKey of (7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine?
The InChIKey is CSWPIOUWZKVGHG-MOIRPGTBSA-N. The full InChI is InChI=1S/C14H26IN/c1-4-6-7-8-9-13(5-2)10-11-14(15)12-16-3/h4,6-8,13-14,16H,5,9-12H2,1-3H3/b6-4-,8-7-.
What are the key properties of (7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine?
(7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine has a molecular weight of 335.27 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z)-5-ethyl-2-iodo-N-methylundeca-7,9-dien-1-amine is sourced from PubChem (CID 146336875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).