(E)-N-[(dimethylamino)methyl]non-3-enamide

C12H24N2O — CID 102117783

IUPAC(E)-N-[(dimethylamino)methyl]non-3-enamide
SMILESCCCCC/C=C/CC(=O)NCN(C)C
InChIInChI=1S/C12H24N2O/c1-4-5-6-7-8-9-10-12(15)13-11-14(2)3/h8-9H,4-7,10-11H2,1-3H3,(H,13,15)/b9-8+
InChIKeyKSCKEONMSRITHB-CMDGGOBGSA-N
MW212.34 g/mol
LogP2.15
Rot. Bonds8

About (E)-N-[(dimethylamino)methyl]non-3-enamide

(E)-N-[(dimethylamino)methyl]non-3-enamide (PubChem CID 102117783) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (E)-N-[(dimethylamino)methyl]non-3-enamide.

Molecular Properties

Compound Name(E)-N-[(dimethylamino)methyl]non-3-enamide
PubChem CID102117783
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(E)-N-[(dimethylamino)methyl]non-3-enamide
SMILESCCCCC/C=C/CC(=O)NCN(C)C
InChIInChI=1S/C12H24N2O/c1-4-5-6-7-8-9-10-12(15)13-11-14(2)3/h8-9H,4-7,10-11H2,1-3H3,(H,13,15)/b9-8+
InChIKeyKSCKEONMSRITHB-CMDGGOBGSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide
CID 101285870
(E)-N,N-dimethyldec-3-enamide
CID 11321540
(E)-dec-4-en-2-one
CID 12955998
(E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
CID 101285722
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931
(E)-N-[2-[2-hydroxyethyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
CID 101285699
(Z)-undec-4-en-2-one
CID 177193877
non-3-enoyl chloride
CID 71403525
nonadec-3-enamide
CID 54215031
(E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide
CID 101274843
methyl (Z)-hexadec-3-enoate
CID 91746830
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(dimethylamino)methyl]non-3-enamide?
The IUPAC name of (E)-N-[(dimethylamino)methyl]non-3-enamide (CID 102117783) is (E)-N-[(dimethylamino)methyl]non-3-enamide.
What is the SMILES notation for (E)-N-[(dimethylamino)methyl]non-3-enamide?
The canonical SMILES for (E)-N-[(dimethylamino)methyl]non-3-enamide is CCCCC/C=C/CC(=O)NCN(C)C.
What is the InChIKey of (E)-N-[(dimethylamino)methyl]non-3-enamide?
The InChIKey is KSCKEONMSRITHB-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-6-7-8-9-10-12(15)13-11-14(2)3/h8-9H,4-7,10-11H2,1-3H3,(H,13,15)/b9-8+.
What are the key properties of (E)-N-[(dimethylamino)methyl]non-3-enamide?
(E)-N-[(dimethylamino)methyl]non-3-enamide has a molecular weight of 212.34 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(dimethylamino)methyl]non-3-enamide is sourced from PubChem (CID 102117783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).