4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine

C11H19F2N3 — CID 153404808

IUPAC4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine
SMILESCC(=N\C(F)F)/C(=C\N)C1CCC(N)CC1
InChIInChI=1S/C11H19F2N3/c1-7(16-11(12)13)10(6-14)8-2-4-9(15)5-3-8/h6,8-9,11H,2-5,14-15H2,1H3/b10-6+,16-7+
InChIKeySLWQMERFWIGMOT-NHXMMFCVSA-N
MW231.29 g/mol
LogP2.03
Rot. Bonds3

About 4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine

4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine (PubChem CID 153404808) has the molecular formula C11H19F2N3 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine
PubChem CID153404808
Molecular FormulaC11H19F2N3
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine
SMILESCC(=N\C(F)F)/C(=C\N)C1CCC(N)CC1
InChIInChI=1S/C11H19F2N3/c1-7(16-11(12)13)10(6-14)8-2-4-9(15)5-3-8/h6,8-9,11H,2-5,14-15H2,1H3/b10-6+,16-7+
InChIKeySLWQMERFWIGMOT-NHXMMFCVSA-N
XLogP2.03
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(Fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine
CID 137400838
4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404764
4-[(Z,3E)-1-amino-3-(trifluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404815
3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine
CID 163897078
(Z)-2-[(3R,4S)-3,4-dimethyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl]prop-1-en-1-amine
CID 164111174
4-Fluoro-2-methyl-3-(1-methylcyclohexyl)iminobut-1-en-1-amine
CID 173755736
3-(4,4-Dimethylcyclohexyl)imino-4,4,4-trifluoro-2-methylbut-1-en-1-amine
CID 173755739
4,4-Difluoro-2-methyl-3-(4-methylcyclohexyl)imino-4-phosphanylbut-1-en-1-amine
CID 173755780
3-methyl-2-[N-(4-methyl-4-phosphanylcyclohexyl)-C-(trifluoromethyl)carbonimidoyl]buta-1,3-dien-1-amine
CID 173755785
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-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine;molecular hydrogen
CID 153404772

Frequently Asked Questions

What is the IUPAC name of 4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine (CID 153404808) is 4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine is CC(=N\C(F)F)/C(=C\N)C1CCC(N)CC1.
What is the InChIKey of 4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine?
The InChIKey is SLWQMERFWIGMOT-NHXMMFCVSA-N. The full InChI is InChI=1S/C11H19F2N3/c1-7(16-11(12)13)10(6-14)8-2-4-9(15)5-3-8/h6,8-9,11H,2-5,14-15H2,1H3/b10-6+,16-7+.
What are the key properties of 4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine?
4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine has a molecular weight of 231.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 153404808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).