N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide

C10H19N3 — CID 123161639

IUPACN-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide
SMILES[H]/N=C(\C)C(CCC=C)N/C(C)=N/C
InChIInChI=1S/C10H19N3/c1-5-6-7-10(8(2)11)13-9(3)12-4/h5,10-11H,1,6-7H2,2-4H3,(H,12,13)/b11-8+
InChIKeyVDOXCCBHEKODOG-DHZHZOJOSA-N
MW181.28 g/mol
LogP2.00
Rot. Bonds5

About N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide

N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide (PubChem CID 123161639) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide
PubChem CID123161639
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide
SMILES[H]/N=C(\C)C(CCC=C)N/C(C)=N/C
InChIInChI=1S/C10H19N3/c1-5-6-7-10(8(2)11)13-9(3)12-4/h5,10-11H,1,6-7H2,2-4H3,(H,12,13)/b11-8+
InChIKeyVDOXCCBHEKODOG-DHZHZOJOSA-N
XLogP2.00
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
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'}

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Related Compounds

N,N'-di(propan-2-yl)but-3-enimidamide
CID 134920311
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CID 67652156
5-ethyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 68113508
2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 69133066
1-(4,5-dihydro-1H-imidazol-2-yl)-N-prop-2-enylpent-4-en-1-amine
CID 69634165
5-pentyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 69861635
1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine
CID 70618628
N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide
CID 91476468
N-butan-2-yl-N'-methylbut-3-enimidamide
CID 155129645
3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide
CID 167079852
N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine
CID 79504468
N-cyclohex-3-en-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79504469

Frequently Asked Questions

What is the IUPAC name of N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide?
The IUPAC name of N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide (CID 123161639) is N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide.
What is the SMILES notation for N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide?
The canonical SMILES for N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide is [H]/N=C(\C)C(CCC=C)N/C(C)=N/C.
What is the InChIKey of N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide?
The InChIKey is VDOXCCBHEKODOG-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-6-7-10(8(2)11)13-9(3)12-4/h5,10-11H,1,6-7H2,2-4H3,(H,12,13)/b11-8+.
What are the key properties of N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide?
N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide has a molecular weight of 181.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide is sourced from PubChem (CID 123161639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).