N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide

C12H24N2O — CID 147053422

IUPACN'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide
SMILESC/C=C\C(/N=C(\C)N(C)CCC)C(C)O
InChIInChI=1S/C12H24N2O/c1-6-8-12(10(3)15)13-11(4)14(5)9-7-2/h6,8,10,12,15H,7,9H2,1-5H3/b8-6-,13-11+
InChIKeyBBTOIBCFDWWJTN-OWEOKAMTSA-N
MW212.34 g/mol
LogP2.07
Rot. Bonds5

About N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide

N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide (PubChem CID 147053422) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide
PubChem CID147053422
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide
SMILESC/C=C\C(/N=C(\C)N(C)CCC)C(C)O
InChIInChI=1S/C12H24N2O/c1-6-8-12(10(3)15)13-11(4)14(5)9-7-2/h6,8,10,12,15H,7,9H2,1-5H3/b8-6-,13-11+
InChIKeyBBTOIBCFDWWJTN-OWEOKAMTSA-N
XLogP2.07
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N,N'-dipropylethanimidamide
CID 146184290
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633
(E)-N,N-dipropylpent-3-en-2-amine
CID 121218071
N,N-dipropylpent-3-en-2-amine;hydrochloride
CID 155653024
(2R)-2-hydroxy-N-methyl-N-propylpropanamide
CID 130891820
3-methylhepta-2,5-dien-4-ol
CID 130124822
heptan-1-ol;pent-3-en-2-ol
CID 161078039
(3Z)-N-methyl-N-propylhexa-1,3,5-trien-2-amine
CID 143165077
(2Z,5E)-5-methylocta-2,5-dien-4-ol
CID 172570769
N-methyl-2-(propan-2-ylamino)-N-propylacetamide
CID 60843587
(2Z)-4-[methyl(propyl)amino]penta-2,4-dienal
CID 168967318
N,2-dimethyl-N-propylbutanamide
CID 89368936

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide?
The IUPAC name of N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide (CID 147053422) is N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide.
What is the SMILES notation for N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide?
The canonical SMILES for N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide is C/C=C\C(/N=C(\C)N(C)CCC)C(C)O.
What is the InChIKey of N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide?
The InChIKey is BBTOIBCFDWWJTN-OWEOKAMTSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-8-12(10(3)15)13-11(4)14(5)9-7-2/h6,8,10,12,15H,7,9H2,1-5H3/b8-6-,13-11+.
What are the key properties of N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide?
N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide has a molecular weight of 212.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide is sourced from PubChem (CID 147053422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).