N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide

C12H22N2 — CID 175628837

IUPACN-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide
SMILESCC/C=C\N(C)/C=N/C(=C/CC)CC
InChIInChI=1S/C12H22N2/c1-5-8-10-14(4)11-13-12(7-3)9-6-2/h8-11H,5-7H2,1-4H3/b10-8-,12-9+,13-11+
InChIKeyHERYJAFGPIFFOJ-GMNSYJKVSA-N
MW194.32 g/mol
LogP3.57
Rot. Bonds6

About N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide

N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide (PubChem CID 175628837) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide
PubChem CID175628837
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide
SMILESCC/C=C\N(C)/C=N/C(=C/CC)CC
InChIInChI=1S/C12H22N2/c1-5-8-10-14(4)11-13-12(7-3)9-6-2/h8-11H,5-7H2,1-4H3/b10-8-,12-9+,13-11+
InChIKeyHERYJAFGPIFFOJ-GMNSYJKVSA-N
XLogP3.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide?
The IUPAC name of N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide (CID 175628837) is N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide.
What is the SMILES notation for N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide?
The canonical SMILES for N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide is CC/C=C\N(C)/C=N/C(=C/CC)CC.
What is the InChIKey of N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide?
The InChIKey is HERYJAFGPIFFOJ-GMNSYJKVSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-8-10-14(4)11-13-12(7-3)9-6-2/h8-11H,5-7H2,1-4H3/b10-8-,12-9+,13-11+.
What are the key properties of N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide?
N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide has a molecular weight of 194.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide is sourced from PubChem (CID 175628837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).