4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide

C18H30N2O — CID 89153819

IUPAC4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide
SMILESC=C/C(=C\C=C(/C)CCCC)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C18H30N2O/c1-4-6-7-14(3)8-13-17(5-2)20-18(21)15-9-11-16(19)12-10-15/h5,8,13,15-16H,2,4,6-7,9-12,19H2,1,3H3,(H,20,21)/b14-8+,17-13+
InChIKeyDYLAOSBUJXBCHB-BYYJQVKUSA-N
MW290.45 g/mol
LogP3.83
Rot. Bonds7

About 4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide

4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide (PubChem CID 89153819) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide
PubChem CID89153819
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide
SMILESC=C/C(=C\C=C(/C)CCCC)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C18H30N2O/c1-4-6-7-14(3)8-13-17(5-2)20-18(21)15-9-11-16(19)12-10-15/h5,8,13,15-16H,2,4,6-7,9-12,19H2,1,3H3,(H,20,21)/b14-8+,17-13+
InChIKeyDYLAOSBUJXBCHB-BYYJQVKUSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.83
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 4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide (CID 89153819) is 4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide is C=C/C(=C\C=C(/C)CCCC)NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide?
The InChIKey is DYLAOSBUJXBCHB-BYYJQVKUSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-6-7-14(3)8-13-17(5-2)20-18(21)15-9-11-16(19)12-10-15/h5,8,13,15-16H,2,4,6-7,9-12,19H2,1,3H3,(H,20,21)/b14-8+,17-13+.
What are the key properties of 4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide?
4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 89153819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).