4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine

C13H22F2N2 — CID 146392371

IUPAC4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine
SMILES[H]/N=C/C(=C\CCCC(F)F)C1CCC(N)CC1
InChIInChI=1S/C13H22F2N2/c14-13(15)4-2-1-3-11(9-16)10-5-7-12(17)8-6-10/h3,9-10,12-13,16H,1-2,4-8,17H2/b11-3+,16-9+
InChIKeyLHSSKJBSGDBCPY-LROKHPKGSA-N
MW244.33 g/mol
LogP3.52
Rot. Bonds6

About 4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine

4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine (PubChem CID 146392371) has the molecular formula C13H22F2N2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine
PubChem CID146392371
Molecular FormulaC13H22F2N2
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine
SMILES[H]/N=C/C(=C\CCCC(F)F)C1CCC(N)CC1
InChIInChI=1S/C13H22F2N2/c14-13(15)4-2-1-3-11(9-16)10-5-7-12(17)8-6-10/h3,9-10,12-13,16H,1-2,4-8,17H2/b11-3+,16-9+
InChIKeyLHSSKJBSGDBCPY-LROKHPKGSA-N
XLogP3.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-Ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine
CID 123146556
2-(4,4-Difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine
CID 123284441
1-[1-Methanimidoyl-2-(5,5,5-trifluoropentan-2-yl)cyclobut-2-en-1-yl]ethanamine
CID 124095499
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-[Difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine
CID 155416854
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-(2-Methanimidoylcyclobuta-1,3-dien-1-yl)cyclohexan-1-amine
CID 130467917
4-[(Z)-2-iminohex-3-en-3-yl]cyclohexan-1-amine
CID 144321613
1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine
CID 153404595
4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404945

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine (CID 146392371) is 4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine is [H]/N=C/C(=C\CCCC(F)F)C1CCC(N)CC1.
What is the InChIKey of 4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine?
The InChIKey is LHSSKJBSGDBCPY-LROKHPKGSA-N. The full InChI is InChI=1S/C13H22F2N2/c14-13(15)4-2-1-3-11(9-16)10-5-7-12(17)8-6-10/h3,9-10,12-13,16H,1-2,4-8,17H2/b11-3+,16-9+.
What are the key properties of 4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine?
4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine has a molecular weight of 244.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 146392371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).