N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide

C15H25N3 — CID 170789921

IUPACN-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide
SMILESCCC/C=C\C/N=C(\N/C=C/N)C1=CCCCC1
InChIInChI=1S/C15H25N3/c1-2-3-4-8-12-17-15(18-13-11-16)14-9-6-5-7-10-14/h4,8-9,11,13H,2-3,5-7,10,12,16H2,1H3,(H,17,18)/b8-4-,13-11+
InChIKeySWVCYRVREDPTCP-MKRIRVNLSA-N
MW247.39 g/mol
LogP3.26
Rot. Bonds6

About N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide

N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide (PubChem CID 170789921) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide.

Molecular Properties

Compound NameN-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide
PubChem CID170789921
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide
SMILESCCC/C=C\C/N=C(\N/C=C/N)C1=CCCCC1
InChIInChI=1S/C15H25N3/c1-2-3-4-8-12-17-15(18-13-11-16)14-9-6-5-7-10-14/h4,8-9,11,13H,2-3,5-7,10,12,16H2,1H3,(H,17,18)/b8-4-,13-11+
InChIKeySWVCYRVREDPTCP-MKRIRVNLSA-N
XLogP3.26
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.26
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'}

Analyze N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide?
The IUPAC name of N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide (CID 170789921) is N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide.
What is the SMILES notation for N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide?
The canonical SMILES for N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide is CCC/C=C\C/N=C(\N/C=C/N)C1=CCCCC1.
What is the InChIKey of N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide?
The InChIKey is SWVCYRVREDPTCP-MKRIRVNLSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-3-4-8-12-17-15(18-13-11-16)14-9-6-5-7-10-14/h4,8-9,11,13H,2-3,5-7,10,12,16H2,1H3,(H,17,18)/b8-4-,13-11+.
What are the key properties of N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide?
N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide has a molecular weight of 247.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-aminoethenyl]-N'-[(Z)-hex-2-enyl]cyclohexene-1-carboximidamide is sourced from PubChem (CID 170789921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).