N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide

C19H30N2O — CID 89214882

IUPACN-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide
SMILESC=C/C(=C\C=C(/C)C(C)CC)NC(=O)C1CC=C(NC)CC1
InChIInChI=1S/C19H30N2O/c1-6-14(3)15(4)8-11-17(7-2)21-19(22)16-9-12-18(20-5)13-10-16/h7-8,11-12,14,16,20H,2,6,9-10,13H2,1,3-5H3,(H,21,22)/b15-8+,17-11+
InChIKeyVGFCQCOINCGZAF-IOTOLQBXSA-N
MW302.46 g/mol
LogP4.07
Rot. Bonds7

About N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide

N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide (PubChem CID 89214882) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide
PubChem CID89214882
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide
SMILESC=C/C(=C\C=C(/C)C(C)CC)NC(=O)C1CC=C(NC)CC1
InChIInChI=1S/C19H30N2O/c1-6-14(3)15(4)8-11-17(7-2)21-19(22)16-9-12-18(20-5)13-10-16/h7-8,11-12,14,16,20H,2,6,9-10,13H2,1,3-5H3,(H,21,22)/b15-8+,17-11+
InChIKeyVGFCQCOINCGZAF-IOTOLQBXSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide (CID 89214882) is N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide is C=C/C(=C\C=C(/C)C(C)CC)NC(=O)C1CC=C(NC)CC1.
What is the InChIKey of N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide?
The InChIKey is VGFCQCOINCGZAF-IOTOLQBXSA-N. The full InChI is InChI=1S/C19H30N2O/c1-6-14(3)15(4)8-11-17(7-2)21-19(22)16-9-12-18(20-5)13-10-16/h7-8,11-12,14,16,20H,2,6,9-10,13H2,1,3-5H3,(H,21,22)/b15-8+,17-11+.
What are the key properties of N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide?
N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 89214882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).