N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide

C14H25NO — CID 88928085

IUPACN-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide
SMILESCC/C=C\CC/C=C(/C)CN(C=O)C(C)C
InChIInChI=1S/C14H25NO/c1-5-6-7-8-9-10-14(4)11-15(12-16)13(2)3/h6-7,10,12-13H,5,8-9,11H2,1-4H3/b7-6-,14-10-
InChIKeyBCBYUGKGNQCKIC-FSGUHFLXSA-N
MW223.36 g/mol
LogP3.55
Rot. Bonds8

About N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide

N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide (PubChem CID 88928085) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide
PubChem CID88928085
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide
SMILESCC/C=C\CC/C=C(/C)CN(C=O)C(C)C
InChIInChI=1S/C14H25NO/c1-5-6-7-8-9-10-14(4)11-15(12-16)13(2)3/h6-7,10,12-13H,5,8-9,11H2,1-4H3/b7-6-,14-10-
InChIKeyBCBYUGKGNQCKIC-FSGUHFLXSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide?
The IUPAC name of N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide (CID 88928085) is N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide.
What is the SMILES notation for N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide?
The canonical SMILES for N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide is CC/C=C\CC/C=C(/C)CN(C=O)C(C)C.
What is the InChIKey of N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide?
The InChIKey is BCBYUGKGNQCKIC-FSGUHFLXSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-7-8-9-10-14(4)11-15(12-16)13(2)3/h6-7,10,12-13H,5,8-9,11H2,1-4H3/b7-6-,14-10-.
What are the key properties of N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide?
N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide has a molecular weight of 223.36 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide is sourced from PubChem (CID 88928085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).