N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide

C14H23NO — CID 156773045

IUPACN-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide
SMILESCC=CCCC=CCN(C=O)C1C(C)C1C
InChIInChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-15(11-16)14-12(2)13(14)3/h4-5,8-9,11-14H,6-7,10H2,1-3H3
InChIKeyHEOVDGIGDAVAFP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.01
Rot. Bonds7

About N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide

N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide (PubChem CID 156773045) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide
PubChem CID156773045
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide
SMILESCC=CCCC=CCN(C=O)C1C(C)C1C
InChIInChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-15(11-16)14-12(2)13(14)3/h4-5,8-9,11-14H,6-7,10H2,1-3H3
InChIKeyHEOVDGIGDAVAFP-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.01
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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Related Compounds

(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
undeca-4,9-dienal
CID 72565371
N,N-bis(but-2-enyl)formamide
CID 76548321
(6Z)-deca-2,6-diene
CID 159397578
(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
CID 21397771
2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate
CID 123405363
icosa-2,10,18-triene
CID 74063823
hentriaconta-2,10,29-triene
CID 150025785
(Z)-hept-5-enal
CID 12625719
N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide
CID 107529943

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide?
The IUPAC name of N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide (CID 156773045) is N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide.
What is the SMILES notation for N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide?
The canonical SMILES for N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide is CC=CCCC=CCN(C=O)C1C(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide?
The InChIKey is HEOVDGIGDAVAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-15(11-16)14-12(2)13(14)3/h4-5,8-9,11-14H,6-7,10H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide?
N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide has a molecular weight of 221.34 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide is sourced from PubChem (CID 156773045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).