4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine

C15H22FN3 — CID 166750793

IUPAC4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine
SMILESC=C1C=C(NC2CCC(N)CC2)N=C(CC)C(F)=C1
InChIInChI=1S/C15H22FN3/c1-3-14-13(16)8-10(2)9-15(19-14)18-12-6-4-11(17)5-7-12/h8-9,11-12,18H,2-7,17H2,1H3
InChIKeyYOLJHEQAJURGJV-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.96
Rot. Bonds3

About 4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine

4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine (PubChem CID 166750793) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine
PubChem CID166750793
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine
SMILESC=C1C=C(NC2CCC(N)CC2)N=C(CC)C(F)=C1
InChIInChI=1S/C15H22FN3/c1-3-14-13(16)8-10(2)9-15(19-14)18-12-6-4-11(17)5-7-12/h8-9,11-12,18H,2-7,17H2,1H3
InChIKeyYOLJHEQAJURGJV-UHFFFAOYSA-N
XLogP2.96
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-4-fluoro-3-methyl-2-[(Z)-pent-3-en-2-ylidene]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 144002441
N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine
CID 145242372
N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine
CID 145242433
8-Butyl-5-ethyl-4-methyl-2,3,7,9-tetrahydropyrimido[4,5-c]azepine
CID 163797184
N-[1-[[(2E,3E,4Z)-2,3-di(ethylidene)-6-methylhepta-4,6-dienylidene]amino]ethenyl]cyclohexanamine
CID 173986093
N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine
CID 143262230

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine (CID 166750793) is 4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine is C=C1C=C(NC2CCC(N)CC2)N=C(CC)C(F)=C1.
What is the InChIKey of 4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine?
The InChIKey is YOLJHEQAJURGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-3-14-13(16)8-10(2)9-15(19-14)18-12-6-4-11(17)5-7-12/h8-9,11-12,18H,2-7,17H2,1H3.
What are the key properties of 4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine?
4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 263.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 166750793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).