3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide

C12H23N3 — CID 167079852

IUPAC3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide
SMILESC=CCC(N)C/C(=N/C)NCC/C=C\C
InChIInChI=1S/C12H23N3/c1-4-6-7-9-15-12(14-3)10-11(13)8-5-2/h4-6,11H,2,7-10,13H2,1,3H3,(H,14,15)/b6-4-
InChIKeyZPBWGXJTWZVMME-XQRVVYSFSA-N
MW209.34 g/mol
LogP1.86
Rot. Bonds7

About 3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide

3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide (PubChem CID 167079852) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide.

Molecular Properties

Compound Name3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide
PubChem CID167079852
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide
SMILESC=CCC(N)C/C(=N/C)NCC/C=C\C
InChIInChI=1S/C12H23N3/c1-4-6-7-9-15-12(14-3)10-11(13)8-5-2/h4-6,11H,2,7-10,13H2,1,3H3,(H,14,15)/b6-4-
InChIKeyZPBWGXJTWZVMME-XQRVVYSFSA-N
XLogP1.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-di(propan-2-yl)but-3-enimidamide
CID 134920311
2-[3-(1,2,3,4-Tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidin-3-ium
CID 21340230
2-[3-(1,2,3,4-Tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine
CID 21340231
2-[4-(1,2,3,4-Tetrahydropyridin-6-yl)butyl]-1,4,5,6-tetrahydropyrimidine
CID 22886485
5-methyl-2-octadec-9-enyl-4,5-dihydro-1H-imidazole
CID 53822875
1-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine
CID 53966111
2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
CID 54415335
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine
CID 57169148
1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
CID 66692443
1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
CID 67644241

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide?
The IUPAC name of 3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide (CID 167079852) is 3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide.
What is the SMILES notation for 3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide?
The canonical SMILES for 3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide is C=CCC(N)C/C(=N/C)NCC/C=C\C.
What is the InChIKey of 3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide?
The InChIKey is ZPBWGXJTWZVMME-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-7-9-15-12(14-3)10-11(13)8-5-2/h4-6,11H,2,7-10,13H2,1,3H3,(H,14,15)/b6-4-.
What are the key properties of 3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide?
3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide has a molecular weight of 209.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide is sourced from PubChem (CID 167079852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).