4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine

C11H19F2N3 — CID 153404764

IUPAC4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine
SMILESN/C=C(\C=N\CC(F)F)C1CCC(N)CC1
InChIInChI=1S/C11H19F2N3/c12-11(13)7-16-6-9(5-14)8-1-3-10(15)4-2-8/h5-6,8,10-11H,1-4,7,14-15H2/b9-5+,16-6+
InChIKeySKEUNSLEQMXKRF-MGEOUUDKSA-N
MW231.29 g/mol
LogP1.68
Rot. Bonds4

About 4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine

4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine (PubChem CID 153404764) has the molecular formula C11H19F2N3 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine
PubChem CID153404764
Molecular FormulaC11H19F2N3
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine
SMILESN/C=C(\C=N\CC(F)F)C1CCC(N)CC1
InChIInChI=1S/C11H19F2N3/c12-11(13)7-16-6-9(5-14)8-1-3-10(15)4-2-8/h5-6,8,10-11H,1-4,7,14-15H2/b9-5+,16-6+
InChIKeySKEUNSLEQMXKRF-MGEOUUDKSA-N
XLogP1.68
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine 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

4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine
CID 146392371
4-[(Z,3E)-1-amino-3-(trifluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404815
2-[(4,4-Difluorocyclohexyl)iminomethyl]-3-methylbut-1-en-1-amine
CID 173876439
4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine
CID 153404808
4-[(Z,3E)-1-amino-3-(trifluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404816
4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404946
4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine
CID 143594629
1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine
CID 153404595
4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine;molecular hydrogen
CID 153404772
4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine;sulfane
CID 153404807
4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404945
(Z)-2-[(4-methylcyclohexyl)iminomethyl]but-1-en-1-amine
CID 153623067

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine (CID 153404764) is 4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine is N/C=C(\C=N\CC(F)F)C1CCC(N)CC1.
What is the InChIKey of 4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine?
The InChIKey is SKEUNSLEQMXKRF-MGEOUUDKSA-N. The full InChI is InChI=1S/C11H19F2N3/c12-11(13)7-16-6-9(5-14)8-1-3-10(15)4-2-8/h5-6,8,10-11H,1-4,7,14-15H2/b9-5+,16-6+.
What are the key properties of 4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine?
4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine has a molecular weight of 231.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 153404764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).