(E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one

C14H26N2O — CID 160904739

IUPAC(E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one
SMILES[H]/N=C(\C)CCC/C=C(/NC(C)C)C(=O)C(C)C
InChIInChI=1S/C14H26N2O/c1-10(2)14(17)13(16-11(3)4)9-7-6-8-12(5)15/h9-11,15-16H,6-8H2,1-5H3/b13-9+,15-12+
InChIKeyPXRCRWBEUVEDPC-OGGMOHOESA-N
MW238.37 g/mol
LogP3.30
Rot. Bonds8

About (E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one

(E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one (PubChem CID 160904739) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one.

Molecular Properties

Compound Name(E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one
PubChem CID160904739
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one
SMILES[H]/N=C(\C)CCC/C=C(/NC(C)C)C(=O)C(C)C
InChIInChI=1S/C14H26N2O/c1-10(2)14(17)13(16-11(3)4)9-7-6-8-12(5)15/h9-11,15-16H,6-8H2,1-5H3/b13-9+,15-12+
InChIKeyPXRCRWBEUVEDPC-OGGMOHOESA-N
XLogP3.30
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one
CID 158016604
7-imino-2-methyloctanoic acid
CID 58165156
3-imino-N-propan-2-ylbutan-1-amine
CID 176923530
4-imino-N-methylpentan-1-amine
CID 146836527
8-methyl-7-propan-2-ylnonan-2-imine
CID 58164973
6,7-dimethyloct-5-enoic acid
CID 162716838
5-methylhept-5-en-2-imine
CID 123766869
N,N'-di(propan-2-yl)decanediamide
CID 58997511
N-(4-iminopentyl)-N-propan-2-ylhydroxylamine
CID 123990488
4-oxo-N-propan-2-ylbutanamide
CID 87543114
5,9-dimethylundecan-2-imine
CID 163570105
(E)-7-methoxyoct-6-en-2-one
CID 15877252

Frequently Asked Questions

What is the IUPAC name of (E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one?
The IUPAC name of (E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one (CID 160904739) is (E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one.
What is the SMILES notation for (E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one?
The canonical SMILES for (E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one is [H]/N=C(\C)CCC/C=C(/NC(C)C)C(=O)C(C)C.
What is the InChIKey of (E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one?
The InChIKey is PXRCRWBEUVEDPC-OGGMOHOESA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)14(17)13(16-11(3)4)9-7-6-8-12(5)15/h9-11,15-16H,6-8H2,1-5H3/b13-9+,15-12+.
What are the key properties of (E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one?
(E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one has a molecular weight of 238.37 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one is sourced from PubChem (CID 160904739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).