(2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide

C12H22N2O — CID 87504307

IUPAC(2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide
SMILESC=CC/C(=C(\C)C(=O)NCCC)N(C)C
InChIInChI=1S/C12H22N2O/c1-6-8-11(14(4)5)10(3)12(15)13-9-7-2/h6H,1,7-9H2,2-5H3,(H,13,15)/b11-10-
InChIKeyFDRLUZCGWSRXGU-KHPPLWFESA-N
MW210.32 g/mol
LogP1.92
Rot. Bonds6

About (2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide

(2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide (PubChem CID 87504307) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide.

Molecular Properties

Compound Name(2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide
PubChem CID87504307
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide
SMILESC=CC/C(=C(\C)C(=O)NCCC)N(C)C
InChIInChI=1S/C12H22N2O/c1-6-8-11(14(4)5)10(3)12(15)13-9-7-2/h6H,1,7-9H2,2-5H3,(H,13,15)/b11-10-
InChIKeyFDRLUZCGWSRXGU-KHPPLWFESA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
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 (2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide?
The IUPAC name of (2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide (CID 87504307) is (2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide.
What is the SMILES notation for (2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide?
The canonical SMILES for (2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide is C=CC/C(=C(\C)C(=O)NCCC)N(C)C.
What is the InChIKey of (2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide?
The InChIKey is FDRLUZCGWSRXGU-KHPPLWFESA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-8-11(14(4)5)10(3)12(15)13-9-7-2/h6H,1,7-9H2,2-5H3,(H,13,15)/b11-10-.
What are the key properties of (2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide?
(2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide has a molecular weight of 210.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide is sourced from PubChem (CID 87504307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).