(2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide

C11H20N2O — CID 89073830

IUPAC(2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide
SMILESC=CC(N)C/C=C(\C)C(=O)NC(C)C
InChIInChI=1S/C11H20N2O/c1-5-10(12)7-6-9(4)11(14)13-8(2)3/h5-6,8,10H,1,7,12H2,2-4H3,(H,13,14)/b9-6+
InChIKeyHTFXEDMVIMBBPN-RMKNXTFCSA-N
MW196.29 g/mol
LogP1.36
Rot. Bonds5

About (2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide

(2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide (PubChem CID 89073830) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide.

Molecular Properties

Compound Name(2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide
PubChem CID89073830
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide
SMILESC=CC(N)C/C=C(\C)C(=O)NC(C)C
InChIInChI=1S/C11H20N2O/c1-5-10(12)7-6-9(4)11(14)13-8(2)3/h5-6,8,10H,1,7,12H2,2-4H3,(H,13,14)/b9-6+
InChIKeyHTFXEDMVIMBBPN-RMKNXTFCSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide?
The IUPAC name of (2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide (CID 89073830) is (2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide.
What is the SMILES notation for (2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide?
The canonical SMILES for (2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide is C=CC(N)C/C=C(\C)C(=O)NC(C)C.
What is the InChIKey of (2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide?
The InChIKey is HTFXEDMVIMBBPN-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-10(12)7-6-9(4)11(14)13-8(2)3/h5-6,8,10H,1,7,12H2,2-4H3,(H,13,14)/b9-6+.
What are the key properties of (2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide?
(2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide has a molecular weight of 196.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-amino-2-methyl-N-propan-2-ylhepta-2,6-dienamide is sourced from PubChem (CID 89073830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).