N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide

C17H29NO — CID 76599942

IUPACN-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide
SMILESCCC=CCCC=C(C)CN(C(=O)C1CC1)C(C)C
InChIInChI=1S/C17H29NO/c1-5-6-7-8-9-10-15(4)13-18(14(2)3)17(19)16-11-12-16/h6-7,10,14,16H,5,8-9,11-13H2,1-4H3
InChIKeyCSUNVELFOXUSCG-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.33
Rot. Bonds8

About N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide

N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide (PubChem CID 76599942) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide
PubChem CID76599942
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide
SMILESCCC=CCCC=C(C)CN(C(=O)C1CC1)C(C)C
InChIInChI=1S/C17H29NO/c1-5-6-7-8-9-10-15(4)13-18(14(2)3)17(19)16-11-12-16/h6-7,10,14,16H,5,8-9,11-13H2,1-4H3
InChIKeyCSUNVELFOXUSCG-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide?
The IUPAC name of N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide (CID 76599942) is N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide.
What is the SMILES notation for N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide?
The canonical SMILES for N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide is CCC=CCCC=C(C)CN(C(=O)C1CC1)C(C)C.
What is the InChIKey of N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide?
The InChIKey is CSUNVELFOXUSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-7-8-9-10-15(4)13-18(14(2)3)17(19)16-11-12-16/h6-7,10,14,16H,5,8-9,11-13H2,1-4H3.
What are the key properties of N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide?
N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide has a molecular weight of 263.42 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylnona-2,6-dienyl)-N-propan-2-ylcyclopropanecarboxamide is sourced from PubChem (CID 76599942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).