(5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide

C14H24INO — CID 134471868

IUPAC(5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide
SMILESC/C=C\C(=C/C(CCC(=O)NC)C(C)C)CI
InChIInChI=1S/C14H24INO/c1-5-6-12(10-15)9-13(11(2)3)7-8-14(17)16-4/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,16,17)/b6-5-,12-9+
InChIKeyHJWQGJPNVXWZBG-ZCRLHDOISA-N
MW349.26 g/mol
LogP3.72
Rot. Bonds7

About (5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide

(5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide (PubChem CID 134471868) has the molecular formula C14H24INO and a molecular weight of 349.26 g/mol. Its IUPAC name is (5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide.

Molecular Properties

Compound Name(5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide
PubChem CID134471868
Molecular FormulaC14H24INO
Molecular Weight349.26 g/mol
Exact Mass349.09
IUPAC Name(5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide
SMILESC/C=C\C(=C/C(CCC(=O)NC)C(C)C)CI
InChIInChI=1S/C14H24INO/c1-5-6-12(10-15)9-13(11(2)3)7-8-14(17)16-4/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,16,17)/b6-5-,12-9+
InChIKeyHJWQGJPNVXWZBG-ZCRLHDOISA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.72
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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Related Compounds

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CID 57681900
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CID 58249815
CID 58249815
CID 58806076
CID 58806076
CID 60113446
CID 60113446
CID 67626962
CID 67626962
CID 67628391
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CID 68048405
CID 68048405
CID 71407488
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CID 89102853
CID 89102853

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide?
The IUPAC name of (5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide (CID 134471868) is (5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide.
What is the SMILES notation for (5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide?
The canonical SMILES for (5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide is C/C=C\C(=C/C(CCC(=O)NC)C(C)C)CI.
What is the InChIKey of (5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide?
The InChIKey is HJWQGJPNVXWZBG-ZCRLHDOISA-N. The full InChI is InChI=1S/C14H24INO/c1-5-6-12(10-15)9-13(11(2)3)7-8-14(17)16-4/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,16,17)/b6-5-,12-9+.
What are the key properties of (5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide?
(5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide has a molecular weight of 349.26 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-6-(iodomethyl)-N-methyl-4-propan-2-ylnona-5,7-dienamide is sourced from PubChem (CID 134471868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).